Research Outputs

Publications

Research papers produced using the PARAM Shakti HPC facility at IIT Kharagpur. Have a publication to add to this list? Submit one here →

Total Publications

2020

2021

2022

2023

2024

2025

2026

Publications by Year

Physical Chemistry Chemical Physics | 28 | 9193-9200

Sanat Kumar Mahapatra, Bijoy Ghosh, Lisa Roy

Unveiling the role of water in the coupling of pyrroles and isocyanates to amidopyrroles inside a hexameric resorcinarene capsule

Journal of Materials Chemistry A | 14 | 10088-10100

Soumitra Sau, Sibu Manna, Suman Karmakar, Sayan Roy, Bipul Mondal, Suman Joardar, Suman Kalyan Samanta

Sequential donor–acceptor dual modulation in conjugated microporous polymers enables efficient photocatalytic synthesis of symmetric ureas, benzothiazoles and functionalized indoles

Physical Chemistry Chemical Physics | 28 | 7318-7330

Soumyajit Karmakar, Biman Giri, Sabyashachi Mishra

Structural and catalytic consequences of active-site vs. distal mutations in human dehalogenase: insights from molecular dynamics simulations

ChemCatChem | 18

Souvik Goswami, Pinaki Nad, Srutiprangya Mohapatra, Hemanta Kumar Kisan, Arup Mukherjee

A Transition Metal‐Free One‐Pot Synthesis of Imidazolones: A Combined Experimental and Computational Study

Nature Communications | 17

Swagata Paul, Somenath Mahato, Sanat Kumar Mahapatra, Sarani Dey, Debasmita Paul, Suparna Mondal, Arpan Naskar, Srinivasa Srikar, Saitosh Mohanty, Saleha Khatun, Debraj Ghorai, Ajeet Kumar Singh, Sagarika Das, Nihar Ranjan Jana, Boudhayan Bandyopadhyay, Abhijit Das, Lisa Roy, Santanu Panda

Late-stage N-Me selective alkenylation and alkynylation of drugs and unactivated tertiary amines using photoredox catalysis

Journal of Composite Materials

Umavarun Veeturi, Sanjeev K. Verma, Pal Dinesh Kumar, Swati Neogi

The influence of Kevlar surface microstructure on the ballistic resistance of soft armors and their hybrid constructions

Physica Scripta | 101 | 055906

Ayon J Karmakar, Tilak Das, Debashis Chanda, Prasanta K Datta

Spin-orbital effects on the rationalization of quantum-confinement in few quasi-2D metal-dichalcogenides 2H- MX 2 ( M = Mo, W; X = S, Se, Te)

Computational and Theoretical Chemistry | 1257 | 115673

Suravi Das, Sanchari Mukherjee, Gourab Kanti Das

DFT mechanistic investigation of the cooperative N-heterocyclic carbene and photoinduced palladium catalysis in the regioselective alkylacylation of 1,3-dienes

The Journal of Chemical Physics | 164

Krishnananda C. P., P. S. Burada, Manisha Khamrai, Swagata Dasgupta, Anushree Roy

Langevin dynamics modeling for mechanistic insights into ultrasound triggered drug release from gold nanoparticle conjugates

Bioorganic & Medicinal Chemistry | 137 | 118614

Sumit Gangopadhyay, Swrajit Nath Sharma, Gourav Das, Atanu Ghosh, Y. Dilnawaj, Maria Mukherjee, Surajit Sinha, Kiran R.Gore

Enhancing RNAi activity through 4′-O-hexadecyl-2′-deoxythymidine modification in the passenger strand

Journal of Molecular Structure | 1363 | 145771

Anuradha Mohitkar, Sourav Manna, Subbalakshmi Jayanty

Photophysical, electrochemical and thermal properties of aminomethyltetrahydropyran and aminophenylmorpholine substituted TCNQ derivatives

Physical Chemistry Chemical Physics | 28 | 5408-5417

Keniya Basu, Pijush Karak, Swapan Chakrabarti

Addressing vibronic phosphorescence and associated excited state dynamics of anti-Kasha molecules: a time-dependent correlation function approach

Physics of Fluids | 38

Arahata Senapati, Gaurav Singh, Arnab Atta

Transient self-similar jet evolution in inertial droplets

Global Nexus Handbook | 103-121

Subhasmita Dash, Rajib Maity

Exploring Copula‐Based Approaches for Analyzing Compound Hydroclimatic Extremes

Soft Matter | 22 | 1797-1808

Rakesh Kumar, Rajaram Lakkaraju, Arnab Atta

Shear-thinning rheology and geometric asymmetry govern droplet dynamics in branched microchannels

Journal of Physics: Condensed Matter | 38 | 105901

Safikul Islam, Niladri Sekhar Kander, Tukai Singha, Samyabrata Paria, Sajib Biswas, Amal Kumar Das

Unraveling the peculiar magnetic and electrical-transport properties of the structurally disordered half-Heusler alloy VCoGe

ChemPlusChem | 91

Arpita Poddar, Anoop Ayyappan, Pratim Kumar Chattaraj

Dynamic Behavior, Optical Response, and Reactivity of Li–Na Nanoalloy Clusters: A Combined CDFT and ITA Perspective

Chemistry – A European Journal | 32

Dipankar Singha, Malay Kumar Rana

Bimetallic MOFs With Enzyme‐Mimetic Active Sites for Nerve Agent Detoxification: Synergistic Insights Into Impeccable Performance From Experiment and Theory

International Journal of Modern Physics B | 40

Bishnu Chakraborty, T. K. Nath

First-principles prediction and comprehensive analysis of new spin gapless semiconductors via p -block element substitution in quaternary Heusler compounds: Electronic, thermodynamic, mechanical and dynamical properties

Langmuir | 42 | 4839-4849

Arka Prava Sarkar, Muhammad Saleh, Sandeep Kumar Reddy

Influence of Metallic Surface Heterogeneity on Adsorption Dynamics and Orientation of Sulfonyl-Functionalized Ionic Liquids

ACS Applied Nano Materials | 9 | 3197-3217

Ashis Ghosh, Sangita Pandit, Sudhir Kumar, Pijush Sardar, Ahin Roy, Debabrata Pradhan, Rajat Kumar Das

Hierarchically Oriented Anisotropic Nanoscale Hydrogels with Enhanced Strength and Conductivity via Metal–Ligand Interactions and Salt-Soaking Strategy for Sensing and Energy-Storage Applications

ChemistrySelect | 11

Pradeep Kumar Rout, Sayon Satpati, Narvdeshwar Kumar, Suvadip Batabyal, Dipankar Sukul, Subhas Ghosal

Predicting Corrosion Inhibition Performance of Benzothiazole Derivatives on Mild Steel in Aqueous HCl Medium Using Machine Learning Algorithms

Physical Review A | 113

Sabyasachi Chakraborty, Rohit Sarma Sarkar, Sonjoy Majumder, Rohit Kishan Ray

Quantum circuit model for continuous-time quantum walks on random graphs

AIAA SCITECH 2026 Forum

Anuj Yadav, Mira Mitra

Finite Element Modeling of Frequency-Dependent Scattering in 3D Polycrystalline Media With a Microvoid

ENGINEERING Structure and Civil Engineering | 20 | 15-35

Surendra Baniya, Damodar Maity

Structural damage detection of shear frame model using parallel physics-informed neural network

2025 IEEE 32nd International Conference on High Performance Computing, Data and Analytics Workshop (HiPCW) | 271-272

Anubhab, Rupesh Nasre

A one-stop DSL for all your GNN workloads

Dalton Transactions | 55 | 10587-10601

Mofijul Molla, Ayyan Ghosh, Santanu Ghora, Sukanta Mandal

Copper( ii ) complexes for electrocatalytic dioxygen reduction: controlling selectivity via a proton relay mode

Physical Chemistry Chemical Physics | 28 | 15367-15375

Sumit Bera, Subhankar Sikder, Hemakesh Mohapatra

Prediction of the mechanochemical reactivity of triarylmethane-based mechanophores using the constrained geometries simulate external force method

Physics of Fluids | 38

Sourish Singha, Arnab Atta

Viscous-inertial crossover in Poiseuille flow over a wavy surface

Journal of Molecular Modeling | 32

Arunima Ghosh, Barik Susmita, Roshan J Singh, Sandeep K. Reddy

$$\pi $$-stack optimizer: framework for the design of one-dimensional supramolecular systems

ACS Applied Materials & Interfaces

Utsa Sarkar, Ranjini Sarkar, Parvathy Ravindranath, Tarun Kumar Kundu, Dipankar Mandal

Tuning Piezoelectricity and Pyroelectricity in Poly(vinylidene fluoride) through Ionic Liquid Anion-Size Directed Polymorph and Interface Engineering

Physical Review B | 113

Md Aktar Hossain, Saikat Das

Orbital hybridization induces giant cubic Rashba effect at the Cu/ WO 3 interface

The European Physical Journal B | 99

Bishnu Chakraborty, T. K. Nath

First-principles study of the structural, electronic, magnetic, mechanical, phonon, and thermoelectric properties of the quaternary Heusler alloys CoVTiZ (Z = Ga, In)

Inorganic Chemistry | 65 | 11285-11293

Sandip Kumar Kuila, Siddha S. Sethi, Dibyajyoti Saikia, Manoranjan Kumar, Partha Pratim Jana

Synthesis, Crystal Structure, and Electronic Structure of a Binary-Ordered Phase Mn 16 Ge 7

Chemical Communications | 62 | 11914-11917

Santu Goswami, Subham Sarkar, Akash Chakraborty, Chhotan Mandal, Sourav Panda, Dibyendu Mallick, Debabrata Mukherjee

N-heterocyclic olefin-based dianionic [ OArCH 2 NHO ArO ] 2− and neutral [ MeOArCH 2 NHO ArOMe ] O,C,O′-pincer ligands

Results in Chemistry | 29 | 103667

V.V. Indrajith, A. Abhijith, P.M. Hari Prasad, Zeena S. Pillai, K. Syam Krishnan, Bipin Nair, T.K. Manojkumar, Prakash Chandran R., A. Anoop, Sobha Vijayan Nair

Enhanced stabilization of furil radical anion in triethanolamine: A spectroscopic and computational study

Scripta Materialia | 284 | 117499

Dattatreya Pati, VB Rajkumar, Shashidhar Gangavarapu, Kamanio Chattopadhyay, Manas Paliwal

First-principles and experimental investigation into the site occupancy of Si in the C14 Fe2Nb Laves phase

Computer Methods in Applied Mechanics and Engineering | 461 | 119241

Debajyoti Kumar, Siddharth Durgaprasad Sharma, Chandan Bose, Somnath Roy

GPU optimized integration of immersed boundary method and overset mesh framework for moving boundary problems

Nucleic Acids Research | 54

Shreya Banerjee, Sayan Paul, Ranabir Majumder, Debolina Manna, Saugat Mondal, Dhruba Dhar, Souvik Karmakar, Jayasri das Sarma, Abhijit Das, N D Pradeep Singh, Soumen Das, Budhaditya Mukherjee, Anakuthil Anoop, Mahitosh Mandal

Coupling DNA intercalation with redox catalysis: selective killing mechanism of glioblastoma by daidzin

RNA Biology | 23 | 1-15

Dibya Kanti Haldar, Avik Pramanick, Chandrama Mukherjee, Pralay Mitra

A transformer-based method for the cap analysis of gene expression and gene expression tag associated capping region prediction in RNA

Chemistry – An Asian Journal | 21

Chitrak Ghosh, Amrita Hazra, Suman Kalyan Samanta

Terrylene‐Based Probe in Selective Colorimetric and Fluorometric Sensing of Toxic Heavy Metal Ions and Nitroaromatic Explosives

Journal of High Energy Astrophysics | 53 | 100636

Tanima Mondal, Soebur Razzaque, Jagdish C. Joshi, Sonjoy Majumder, Debanjan Bose

Multi messenger study of GRB 221009A with VHE gamma-ray and neutrino Afterglow from a Gaussian structured jet

The Astrophysical Journal | 1003 | 189

Sukhdeep Singh Gill, Khandakar Md Asif Elahi, Somnath Bharadwaj, Shiv K. Sethi, Akash Kumar Patwa

The Epoch of Reionization 21 cm Bispectrum at z = 8.2 from MWA Data. II. Smooth Component Filtering

Advanced Functional Materials | 36

Eid Nassar‐Marjiya, Konda Reddy Kunduru, Krishanu Ghosal, Luna Rizik, Nofar Atari, Mahran Daifa, Neta Kutner, Bassma Khamaisi, Qi Wu, Simran Jindal, Merna Shaheen‐Mualim, Ranabir Majumder, Mahitosh Mandal, Michal Mandelboim, Shady Farah

Combinatorial Synthesis of Next Generation Water‐Soluble Quaternized N‐Halamine Oligomers with Long‐Lasting Antiviral Properties

The Journal of Organic Chemistry | 91 | 7678-7684

Abhisek Metya, Uday Ghosh, Rik Banerjee, Sharmila Das, Modhu Sudan Maji

Annulative π-Extension by Ru(II)-Catalyzed peri -C–H Activation: Access to Pyranoacridine Photocatalyst

Organic Letters | 28 | 6557-6562

Abhisek Metya, Sourav Sekhar Bera, Agniva Das, Modhu Sudan Maji

Iterative C–H Amidation of Thiophenes under High-Valent Cp*Co(III) Catalysis

SmartMat | 7

Wai Lean Koay, Saugat Mondal, Sayan Paul, Xin Yi Oh, Quyen Vu Thi, Zhi Qin Teh, N. D. Pradeep Singh, Vinh X. Truong

Ultra‐Fast and Reversible [2 + 2] Photocycloaddition Enabling Green Light‐Mediated Switching of Polymer Materials

Journal of Materials Chemistry B | 14 | 7969-7984

M. M. Sreejaya, Sayan Paul, Pragya Trivedi, Fathima Puthiya Madathummal Sana, Vaishnavi Mekkeparambath, Ashwin Nair, G. Malavika, Angel Mariyam Biju, P. M. Kalyani, Avijit Jana, Anakuthil Anoop, Moumita Gangopadhyay

A triphenylamine–boronic-acid-based theragnostic biomaterial for diabetes with concurrent fluorescence sensing of glucose and microviscosity

Small | 22

Yaiswarya Das Karmakar, Payel Khanra, Bijoy Ghosh, Lisa Roy, Anindita Das

Circularly Polarized Luminescence (CPL)‐Active Homo‐ and Heterostructures by Surface‐Catalyzed Secondary Supramolecular Polymerization

Organic Letters | 28 | 2260-2265

Hemonta Kumar Saha, Tarun, Vishvajeet Kumar, Dibyendu Mallick, Upendra Kumar Pandey, Soumyajit Das

N -Annulated [5]Helicenes: Syntheses, (Anti)Aromaticity and Properties

Physical Chemistry Chemical Physics | 28 | 8878-8888

Anwesha Banerjee, Akash Kumar Parida, Anirban Panda, Dibyendu Mallick, Ujjal Bhattacharjee

Polymeric nano-thermometer exploiting reverse intersystem crossing: a potential solution to common interferences

AIAA SCITECH 2026 Forum

Hari Chand, Ratan Joarder

Flame Temperature Mapping Using Two Synthetic OH Planar Laser-Induced Fluorescence Images

Crystal Growth & Design | 26 | 2642-2648

Prantik Dutta, Subhajit Saha, Kumar Biradha

Photochromism and Photoinduced Radical Activity─Symbiotic or Concurrent? A Case Study on Polymorphs of 1,4-Bis(imidazolyl)benzene Solvates

SN Computer Science | 7

Devraj Patel, Sunita V. Dhavale, Bhushan B. Mhetre

Dilated Separable Residual Network (DSRNet): Lightweight model for Personality Recognition using LLM Augmented Text Data

Neural Computing and Applications | 38

Devraj Patel, Sunita V. Dhavale, Bhushan B. Mhetre

Personality in 3D: multimodal deep learning framework for big five trait prediction

Small Structures | 7

Tapu Raihan Gazi, Mrinal Kanti Sikdar, Pijush Sardar, Ahin Roy, Indranath Chakraborty

Deciphering Interfacial Charge Transfer Phenomena at Nickel Nanocluster–Oxide Interface toward Augmented Efficacy in Electrochemical Water Splitting

Chemical Science | 17 | 2703-2711

Chitrak Ghosh, Minji Chung, Hayeong Park, Aniket Jitendra Talreja, Ullrich Scherf, Joon Hak Oh, Suman Kalyan Samanta

Polyterrylenes: synthesis and regioregularity effect on p-type charge transport and deep-red light photodetection in OFETs

Journal of Materials Chemistry C | 14 | 1466-1482

Tilak Das, Amal Kumar Das

Magnetostrictronics: an example case of bulk L1 0 -MnPt from first-principles calculations

ASME Journal of Heat and Mass Transfer | 148

Hitesh Sharma, K. S. Pavan Kumar, Arnab Roy, Chetan S. Mistry

Effect of Blowing Configurations on Heat Transfer Augmentation With Multihole Sweeping Jet Film Cooling

Journal of Materials Chemistry C | 14 | 2293-2308

Subhadip Ghosh, Sanjeev Kumar Srivastava

Topological spin dynamics in Eu-doped SnTe using spin resonance and magnetic measurements

Batteries & Supercaps | 9

Prakhar Verma, Sanchita Manna, Jayanta Chakraborty, Sreeraj Puravankara

Synergy Between Zn Current Collector and K + Shielding Additives for High‐Performance Na Plating/Stripping

Lecture Notes in Mechanical Engineering | 715-724

Siddharth D. Sharma, Piru Mohan Khan, Suman Chakraborty, Somnath Roy

A Comparative Study of Hemodynamics in Eccentric and Axisymmetric Stenosis in Carotid Artery

Lecture Notes in Mechanical Engineering | 547-561

Adhiraj Mukhopadhyay, Durga Charan, Sunil Manohar Dash, Sunita Mishra

Investigation of Frequency Effects on the Self-propelled Heaving Airfoils

Proceedings of the 34th International Symposium on Shock Waves, Volume 2: Applications 1 | 244-253

Chitimada Narendrakumar, K. P. Sinhamahapatra

Effects of Nozzle Pressure Ratio on Mixing Characteristics of Underexpanded Sonic Twin Jets

Lecture Notes in Civil Engineering | 229-240

Subhra Sekhar Maity, Rajib Maity

Analysis of Flash Droughts Across Indian Mainland: A Comparison Between CMIP6 Simulations and ERA5 Reanalysis Data

Lecture Notes in Mechanical Engineering | 165-175

Rishabh Ravi Prakash, Nandan Sarkar, Somnath Roy

Flow Characteristics in Two-Dimensional Sudden Expansion in the Presence of Solid Cylinder

Lecture Notes in Mechanical Engineering | 559-570

Amit Ashok Pawar, Kumar Sanat Ranjan, Arnab Roy, Sandeep Saha

Investigating the Effect of Forewing-Hindwing Phasing on the Flowfield of a Tethered Pantala flavescens

Proceedings of the 8th International Conference on Data Science and Management of Data (12th ACM IKDD CODS and 30th COMAD) | 369-372

Gagan Raj Gupta, Dhruv Rajesh Deshmukh, Vishwesh Jatala

Distributed Graph Neural Networks

Physical Chemistry Chemical Physics | 27 | 9755-9766

Gourab Saha, Sanjoy Bandyopadhyay

Elucidating the microscopic properties of a $\beta$-barrel protein and the solvent confined in and around it

Journal of Chemical Education | 103 | 266-275

Beas Mukherjee, Soumya De

Cohort-Based Learning of Computational Protein Design: Engineering a Helical Protein To Improve Its Stability

International Journal of Heat and Mass Transfer | 255 | 127765

Abhinav Singh, Indranil Ghosh

Cryogenic pulsating heat pipe – dependence on geometrical parameters like adiabatic length and number of turns

The Journal of The Textile Institute | 117 | 8-23

Umavarun Veeturi, Rinku Pramanick, Rohan Jadhav, Sanjeev K. Verma, Pal Dinesh Kumar, Swati Neogi

Degradation and failure mechanisms in kevlar armor: a study on ultraviolet exposure and multi-impact loading

2025 IEEE International Conference on Quantum Computing and Engineering (QCE) | 01-12

Rohit Sarma Sarkar, Sabyasachi Chakraborty, Bibhas Adhikari

Scalable Quantum Circuits of Exponential of Pauli-Strings and its Applications to Hamiltonian Simulations

IEEE Transactions on Artificial Intelligence | 1-10

Sabyasachi Mukhopadhyay, Nazeer Haider, Pabitra Mitra, Soumya K. Ghosh

CerviImagingDiag: A Lightweight, Privacy-Preserving AI Framework for Cervical Precancer Detection on Consumer Devices via Web Applications

IEEE Transactions on Computational Social Systems | 1-9

Sabyasachi Mukhopadhyay, Nazeer Haider, Chinmay Chakraborty, Pabitra Mitra, Soumya K. Ghosh

CerviSpectraDiag: An Explainable Privacy-Preserved Federated Framework for Early Detection of Cervical Cancer

IEEE Transactions on Services Computing | 18 | 1026-1038

Tanusree Parbat, Ayantika Chatterjee

SHELDB: Client Storage Aware Homomorphic Encrypted Database Processing Framework With Low Communication Overhead

Langmuir | 41 | 30351-30359

Soumya Biswas, Samyabrata Chatterjee, Sunando DasGupta, Monojit Chakraborty

On the Relation between Hamaker Constant and Contact Line Friction

ACS Catalysis | 15 | 13810-13820

Biprajit Paul, Surajit Das, Sanat Kumar Mahapatra, Lisa Roy, Indranil Chatterjee

Merging Photochemical Olefin Metathesis with an Amination Reaction

ChemCatChem | 17

Sanat Kumar Mahapatra, Bijoy Ghosh, Lisa Roy

Harnessing Selectivity and Reactivity with Noncovalent Interactions in Molecular and Supramolecular Organo‐Catalysis: A Computational Perspective

Chemical Science | 16 | 20061-20072

Hrishikesh Paul, Arijit Chakraborty, Animesh Mandal, Dibyangshu Das, Sanat Kumar Mahapatra, Lisa Roy, Indranil Chatterjee

Electron donor–acceptor complex offers a diverse approach for carbonyl alkylative amination

Applied Physics A | 131

Santanu Pathak, Parnika Das, Tilak Das

First-principles insights into hyperfine parameters in the pristine and Ta-probed monoclinic hafnia

Applied Physics A | 131

P. Srikanth Patnaik, Tilak Das, Sergio Tosoni, G. P. Das

A comparative first-principles magnetic ground states study in pristine and reduced LaMnO3-x ($$0.0\le x\le 0.04$$): Role of magnetic quasi-particles

Journal of Cultural Heritage | 73 | 510-523

Saurabh Kumar Singh, Damodar Maity, Pradeep Kumar Kumawat

Deep learning-based damage detection and segmentation in the battledore of Darbhanga Fort

Chemical Science | 16 | 17867-17875

Akshay Thorat, Rahul Sahu, Udaijit Pattnaik, Devamrutha Ilayidathu Suresh, Satyaprasad P. Senanayak, Sandeep K. Reddy, Chidambar Kulkarni

Tuning the dimensionality of functional thiazolo[5,4- d ]thiazole based supramolecular polymers via competitive interactions

Journal of Alloys and Compounds | 1040 | 183208

Rahul Pan, Krishnendu Buxi, Farid Labib, Amit Mondal, Bibhas Ghanta, Sandip Kumar Kuila, Anup Kumar Bera, Ahin Roy, Ryuji Tamura, Partha Pratim Jana

Ferromagnetic cluster glass behaviour in the γ-brass type phase- Fe2Zn10Ni1

The Journal of Chemical Physics | 162

Hindol Chatterjee, Pallab Dutta, Martin Zacharias, Neelanjana Sengupta

Learning transition path and membrane topological signatures in the folding pathway of bacteriorhodopsin (BR) fragment with artificial intelligence

Cell Reports Physical Science | 6 | 102872

Qingqing Zhou, Vinay Maithani, Michael Prati, Stefano Ippolito, Megan A. Creighton, Yury Gogotsi, Sankha Mukherjee, Changhong Cao

Interfacial shear strength of MXene interfaces

Physical Review Fluids | 10

V. R. Krishna Priya, Snehal Sunil Patil, Somnath Roy, Konduri Aditya, Rajaram Lakkaraju

Probing quasigeostrophic turbulence via complex networks

Theoretical and Applied Climatology | 156

Vineet Sharma, Amarjeet, Gauravendra P. Singh, Arun Chakraborty

Variabilities in onset and withdrawal characteristics of Indian summer monsoon after 1998 climate shift: dynamical role of somali jet

ACS Central Science | 11 | 1062-1070

Saugat Mondal, Jusung An, Tapas Bera, Moumita Banerjee, Snehasish Debnath, Debasish Mandal, Antara Sikder, Samit Guha, Jong Seung Kim, N. D. Pradeep Singh

Engineering a Green Fluorescent Protein-Core-Inspired NIR-Photocage: Exploring meso-GFP-PRPG toward Alzheimer’s Disease Therapeutics

Journal of Chemical Theory and Computation | 21 | 776-786

Prasenjit Das, Pratim Kumar Chattaraj

Bare and Ligand-Stabilized Planar Hexacoordinate Boron (phB) in ABeC2B4 (A = P, As, Sb, and Bi) Clusters

New Journal of Physics | 27 | 043019

Arpana Saboo, Soumyadeep Halder, Mithun Thudiyangal, Sonjoy Majumder

Magnetization induced skyrmion dynamics of a spin–orbit-coupled spinor condensate under sinusoidally varying magnetic field

Physical Review A | 111

Soumyadeep Halder, Hari Sadhan Ghosh, Arpana Saboo, Andy M. Martin, Sonjoy Majumder

Roadmap to vortex nucleation below the critical rotation frequency in a dipolar Bose-Einstein condensate

Physical Chemistry Chemical Physics | 27 | 18005-18014

Anasua Khan, Debdatta Banerjee, Divya Rawat, T. K. Nath, Ajay Soni, Swastika Chatterjee, A. Taraphder

Emergence of spin–phonon coupling in a Gd-doped Y 2 CoMnO 6 double perovskite oxide: a combined experimental and ab initio study

Physical Chemistry Chemical Physics | 27 | 11499-11511

Subhadip Ghosh, Sanjeev Kumar Srivastava

Study of proximity-coupled magnetic anisotropy in V-doped SnTe using spin resonance and magnetic measurements

Environmental Research | 275 | 121390

K.S. Anagha, Jayanarayanan Kuttippurath

Surface ozone pollution-driven risks for the yield of major food crops under future climate change scenarios in India

Proteins: Structure, Function, and Bioinformatics | 93 | 2034-2049

Srijeeb Karmakar, Jishnu Manglam, Krishna Kant, Soumya De

Investigating the Context‐Dependent Phase Separation of Human HOX Transcription Factors

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics | 1873 | 141082

Rupam Biswas, Gourab Bhattacharje, Bina Kumari Singh, Debajyoti Dutta, Amit Basak, Amit Kumar Das

Crystal structure and molecular dynamics simulation of Mycobacterium tuberculosis MaoC-like dehydratase HtdX provide insights into substrate binding and membrane interactions

Journal of the American Chemical Society | 147 | 14739-14755

Siddha Sankalpa Sethi, Arnab Dutta, Emil I. Jaffal, Nishant Yadav, Danila Shiryaev, Brian Hoang, Anirudh Machathi, Sangjoon Lee, Karabi Das, Partha Pratim Jana, Anton O. Oliynyk

Unsupervised Machine Learning Prediction of a Novel 1:3 Intermetallic Phase with the Synthesis of TbIr 3 (PuNi 3 -type) as Experimental Validation

Energy | 333 | 137284

Subradip Debnath, Vinay Arya, BoHung Kim, Chirodeep Bakli, Suman Chakraborty

Interplay of topography, wettability, and confinement controls boiling of water over functionalized graphene interfaces

The Analyst | 150 | 2545-2553

Rajat Kumar, Federica Piccirilli, Paola Di Pietro, Johannes Schmidt, Giovanni Birarda, Lisa Vaccari, Andrea Perucchi, Prasanta Kumar Datta

Broadband terahertz signatures and vibrations of Phe–Phe peptide and its fibrils

Nanoscale | 17 | 17369-17383

Subhadip Ghosh, Shivam Shukla, Sanjeev Kumar Srivastava

Study of defect-induced magnetic anisotropy in MWCNT and RGO dispersed SnTe using spin resonance and magnetic measurement

Journal of Applied Polymer Science | 142

Masuma Khatun, Nandagopal Bar, Debrupa Biswas, Gaurab Kanti Das, Pranesh Chowdhury

Cyan Emissive Polyethyleneimine: Exploration of Fluorescence Mechanism for Real Applications

Journal of Materials Chemistry B | 13 | 7172-7180

Subham Pal, Sayan Paul, Suchhanda Biswas, Batakrishna Jana, N. D. Pradeep Singh

Green-light responsive fluorescein-based photoremovable protecting group: nanoparticle formulation for controlled release of bioactive molecules with real-time-monitoring ability

ACS Applied Nano Materials | 8 | 8937-8947

Suchhanda Biswas, Sayan Paul, Subham Pal, Sarmin Suhana, Manotosh Pramanik, Bipul Pal, Batakrishna Jana, N. D. Pradeep Singh

Two-Photon Activable Excited-State Proton Transfer-Induced Photoresponsive Nanocarriers for In Vitro Image-Guided Delivery of Bioactive Molecules

Bioorganic & Medicinal Chemistry Letters | 128 | 130329

Sumit Gangopadhyay, Gourav Das, Swrajit Nath Sharma, Atanu Ghosh, Siddharam Shivappa Bagale, Surajit Sinha, Kiran R. Gore

4′-O-methoxyethyl-2′-deoxy-uridine and cytidine ribonucleotides improve duplex stability, nuclease resistance, and elicit efficient knockdown of Bcl-2 expression

Physical Review E | 111

Krishnananda C. P., P. S. Burada, Swagata Dasgupta, Anushree Roy

Microscopic machinery for ion-triggered drug release from gold nanoparticles-drug conjugates: Optical spectroscopy and molecular dynamics studies

Journal of Hydrology | 660 | 133457

Subharthi Sarkar, Mohd Imran Khan, Rajib Maity

Deep learning reveals future streamflow characteristics change and climate sensitivity

The Journal of Chemical Physics | 163

Abhirup Chaudhuri, Chirodeep Bakli, Suman Chakraborty

Anomalous interplay of confinement, wettability, and salt concentration toward diffusion of saline water in nanochannels

Ocean Engineering | 335 | 121626

Shaik Firoj, Mohammad Saud Afzal

Numerical analysis of solitary wave diffraction by V-shaped breakwater

The Journal of Physical Chemistry A | 129 | 1847-1855

Arpita Poddar, Dongbo Zhao, Paul W. Ayers, Shubin Liu, Pratim K. Chattaraj

What Dictates the α-Effect in Gas-Phase SN2 Reactions? A Density Functional Theory Study

ChemistrySelect | 10

Ashok Mandi, Nandagopal Bar, Arindam Ray, Keya Ghosh, Masuma Khatun, Anuva Mandal, Dhrubajyoti Mondal, Gourab Kanti Das, Pranesh Chowdhury

Synthesis of a Photochromic Schiff Base Metal Complex for the Spectroscopic, Thermodynamic, and Computational Studies

Journal of Applied Physics | 137

Pawan Kumar Dubey, Aditya Bandopadhyay, Indranil Manna, Suman Chakraborty

Integrating experiments and simulations to correlate thermal convection and defect morphologies in the overlapping tracks of Cu–Cr alloy during laser-assisted additive manufacturing

Journal of Materials Chemistry B | 13 | 6533-6550

Satyabrata Nigamananda Sahoo, Indu Avula, Santanu Mandal, Surasree Pal, Vamsi Krishna Balla, Mangal Roy

Ab initio study of precipitate stability in an Mg–Zn–Zr–Y alloy and its effects on corrosion, antimicrobial and in vitro biocompatibility

Physics of Fluids | 37

Shaik Firoj, Mohammad Saud Afzal

Hydrodynamic performance of arc-shaped breakwater: Role of geometry and obliquity

Inorganic Chemistry | 64 | 6597-6611

Amit Mondal, Shubham Patel, Rahul Pan, Sandip Kumar Kuila, Riju Dey, Lars Schumacher, Anup Kumar Bera, Rainer Pöttgen, Partha Pratim Jana

Chemical Disorder-Driven Cluster Spin Glass in Pseudobinary Co2Zn10.2Mn0.8: An Experimental and Theoretical Study

Langmuir | 41 | 3187-3198

Arka Prava Sarkar, Rahul Sahu, Sandip Giri, Anakuthil Anoop, Sandeep K. Reddy

Exploring the Conformational Space of a Sulfonyl-Based Ionic Liquid on Platinum-Based Mono and Bimetallic Surfaces

Applied Thermal Engineering | 268 | 125876

Pawan Kumar Dubey, Aditya Bandopadhyay, Indranil Manna, Suman Chakraborty

Role of melt pool convection in optimising defect free components fabricated via laser powder bed fusion of CuSn alloy

Crystal Growth & Design | 25 | 1174-1181

Subhajit Saha, Debasis Pal, Kumar Biradha

Enclathration of Aliphatic Alcohols by 1,4-Bis(4,5-bis(4-bromophenyl)-imidazolyl)benzene: Influence of Alcohol Chain Length on Photochromic Efficiency and Response Time

Physical Review E | 112

Devanshu Shekhar, Pragya Shukla

Distribution of the entanglement entropies of nonergodic quantum states

Chaos: An Interdisciplinary Journal of Nonlinear Science | 35

Arunava Das, Pinaki Dutta, Kamal L. Panigrahi, Vishwanath Shukla

Lyapunov spectra and fluctuation relations: Insights from the Galerkin-truncated Burgers equation

International Journal of Biological Macromolecules | 314 | 144106

Shakilur Rahman, Ayush Bhattacharya, Prerona Jana, Manisha Ganguly, Amit Kumar Das, Ditipriya Hazra, Amlan Roychowdhury

Subtractive proteomics unravel the potency of D-alanine-D-alanine ligase as the drug target for Burkholderia pseudomallei

Computational Materials Science | 250 | 113703

Sankalp Biswal, Rakesh Kumar Barik, Anmol Bakshi, Suman Neogy, Raghvendra Tewari, Amlan Dutta, Debalay Chakrabarti

Deciphering the atomic-scale interactions between screw dislocation and copper precipitate in austenitic stainless steel using molecular dynamics simulation

Computers & Fluids | 291 | 106590

Gaurav Singh, Arahata Senapati, Arnab Atta, Rajaram Lakkaraju

Optimizing fluid mixing in channel flow using wall-mounted flexible structures

European Journal of Organic Chemistry | 28

Sakshi Sahewal, Ankita Sharma, Priyank Kumar Sharma, Dibyendu Mallick, Upendra Kumar Pandey, Soumyajit Das

Synthesis of a Selena‐Hybrid [5]Radialene Derivative and Exploration of Polycyclic Heteroterphenoquinones as Ambipolar Charge Carriers

Physical Review B | 111

Shubham Patel, A. Taraphder

Superconductivity, valence skipping, and topological crystalline metallic phase in AgSnSe 2

Physical Review D | 111

Sukhdeep Singh Gill, Somnath Bharadwaj

Brisk estimator for the angular multipoles of the redshift space bispectrum

ChemistrySelect | 10

Aarushi Prasad, Jobin Thomas, Sakshi Bhatt, Anupam Ghosh, Shivendu Ranjan, Jitendra Satija

Andrographolide Derivative as Therapeutic Lead Against Mutated β‐Lactamase Enzyme: An In‐Silico Approach to Combat AMR

Ceramics International | 51 | 12060-12071

Abhinava Goswami, Soham Maiti, Ibetombi Soibam

A combined theoretical and experimental study on conventionally sintered Mn-substituted Co-Zn ferrites: Insights into magnetic interactions and cation distribution

Journal of Alloys and Compounds | 1038 | 182547

Abhinava Goswami, Gongotree Phukan, Soham Maiti, J.P. Borah, Ibetombi Soibam

DFT and experimental study on the structural, magnetic and self-heating behaviour of Mn-substituted Co-Zn ferrites

Biophysical Journal | 124 | 3206-3216

Hrushikesh Malshikare, Durba Sengupta

Membrane remodeling by the caveolin-1 8s oligomeric complex

Nano Letters | 25 | 10870-10878

D. Manikandan, Suman Chakraborty

Massively Improved Water Desalination Performance Using Phase-Engineered MoS2 Nanopores

Journal of Engineering Mathematics | 151

Arindam Basak, Rajaram Lakkaraju, G. P. Raja Sekhar

Steering a Thermocapillary Droplet Motion in Combined Couette–Poiseuille Flow

International Journal of Thermal Sciences | 215 | 109994

Jitendra Kumar, Mohammad Saud Afzal

Performance evaluation of a double-pipe heat exchanger using plain and rectangular-cut multi-channel twisted tapes

Bioinspiration & Biomimetics | 20 | 046013

Rajosik Adak, Arindam Mandal, Sandeep Saha

Direct numerical simulations of dragonfly-inspired corrugated tandem airfoils at low Reynolds number

Organometallics | 44 | 2481-2486

Suman Dolai, Soumyajit Karmakar, Premnath Das, Sabyashachi Mishra, Sanjib K. Patra

Bench-Stable Fe(III)-Bimetallic Photocatalyst for Controlled Polymerization of Acrylates Via LMCT Excited State

International Journal of Multiphase Flow | 189 | 105242

Arahata Senapati, Gaurav Singh, Arnab Atta, Rajaram Lakkaraju

Dynamics of jet formation in inertial droplet

Chemistry – A European Journal | 31

Suman Dolai, Soumyajit Karmakar, Souvik Kundu, Sabyashachi Mishra, Sanjib K. Patra

Redox‐Assisted Controlled Radical Polymerization of Acrylates by Strategically Designed RuII‐FeII Heterobimetallic Conjugate

The European Physical Journal B | 98

Ismail Sk, Joydeep Chatterjee, Arghya Taraphder, Nandan Pakhira

Role of correlation and spin-orbit coupling in $$\text {LuB}_{4}$$: a first principles study

Physics of Fluids | 37

Saurabh Dhopeshwar, Ujjwal Chetan, Toshan Lal Sahu, Rajaram Lakkaraju, Suman Chakraborty

Surface tension-modulated solitary waves on falling liquid films in the drag–inertia regime

AIAA Journal | 63 | 3231-3249

Hitesh Sharma, Arnab Roy, Chetan. S. Mistry

Detailed Flow Analysis of Feedback-Channel-Type Fluidic Oscillator Using Dynamic Mode Decomposition

Dalton Transactions | 54 | 8673-8682

Siddha Sankalpa Sethi, Achintya Lakshan, Ahin Roy, Siddhartha Das, Karabi Das, Partha Pratim Jana

Unveiling the unique site preference of Ga in the defect wurtzite type In 2 Se 3 –Ga 2 Se 3 system: an experimental and computational study

ChemPhysChem | 26

Shanti Gopal Patra, Arpita Poddar, Ruchi Jha, Sumit Satish Kadam, Chhanda Paul, Pratim Kumar Chattaraj

Mechanochemical Diels–Alder Reactions: Conceptual Density Functional Theory and Information‐Theoretic Analyses

Physical Review B | 111

Abhirup Roy Karmakar, A. Taraphder, G. P. Das

Large circular photogalvanic effect in the noncentrosymmetric magnetic Weyl semimetal CeAlSi

Inorganic Chemistry | 64 | 15424-15436

Sudip Baguli, Subham Sarkar, Soumajit Nath, Dibyendu Mallick, Debabrata Mukherjee

Gauging the Intramolecular CAr-I Activation from Two Parallel Sets of MCl (M = Cu, Ag, Au) Adducts of an Iodobenzyl CAAC and Its NHC Variant

Mechanics of Materials | 207 | 105367

Anuj Yadav, Kamal Kishor Prajapati, Mira Mitra

Deep learning-assisted prediction of mean grain size of polycrystalline materials from ultrasonic wave response

International Journal of Multiphase Flow | 192 | 105353

Toshan lal Sahu, Ujjwal Chetan, Saurabh Dhopeshwar, Prabir Kumar Kar, P. Das, Rajaram Lakkaraju

Entrainment characteristics of a swirling liquid jet plunging in a quiescent pool of liquid

The Journal of Physical Chemistry C | 129 | 10264-10277

Sanjukta Parida, Sanjib K. Patra, Sabyashachi Mishra

Hole and Electron Mobility in Sulfur- and BN-Functionalized Perylene Diimides: A Computational Study

Angewandte Chemie International Edition | 64

Kakoli Maji, Angshuman Palai, Dibyendu Mallick, Biplab Maji

Cobalt‐Catalyzed Enantioselective Reductive Coupling of Imines and Internal Alkynes

Physics of Fluids | 37

Asmita M. Rahatgaonkar, Somnath Ghosh

Large eddy simulation of high Reynolds number compressible round jets: Insights into compressibility effects

ACS Applied Polymer Materials | 7 | 9797-9807

Shaheen Sultana, Ranjeet Singh, Prasanta Kumar Datta, Kumar Biradha

Transparent Thin Films via Single-Crystal-to-Single-Crystal Photopolymerization of a Flexible Diene for Femtosecond-Scale Third-Order Optical Nonlinearity

Journal of Fluid Mechanics | 1008

Vibhuti Bhushan Jha, Kannabiran Seshasayanan, Vassilios Dallas

Cascades transition in generalised two-dimensional turbulence

Inorganic Chemistry | 64 | 19266-19278

Chhotan Mandal, Subham Sarkar, Narottam Mukhopadhyay, Dibyendu Mallick, Debabrata Mukherjee

[9-{2-(Dimethylamino)ethyl}fluorenyl] as a Ligand on Magnesium Leads to a THF Ring-Opening by the Fluorenyl Moiety

Journal of Applied Physics | 137

Roshan Kumar Jha, Ranjeet Kumar, Sumantra Mandal

Role of site-specific solute segregation and structural transition on grain boundary diffusion in Ni–Nb alloy

Scripta Materialia | 262 | 116653

Amir Hasan, Sankalp Biswal, Debalay Chakrabarti, Manas Paliwal

First-principles investigation of alloying effects on stacking fault energies and lattice constants of γ′′-Ni3Nb: A comprehensive study

Journal of Engineering for Gas Turbines and Power | 147

Hardikkumar Bhavsar, Chetan S. Mistry

Implementation of Flow Control Methods for Design of Connecting Duct of Annular Sector Cascade Tunnel

Angewandte Chemie International Edition | 64

Sudip Baguli, Subham Sarkar, Dibyendu Mallick, Debabrata Mukherjee

Frustrated Lewis Pair (FLP)‐Like (Cyclo)Addition of Small Organic Molecules to a Stable Azomethine Ylide

Physical Chemistry Chemical Physics | 27 | 11530-11540

Dipankar Singha, Debansh Mohapatra, Malay Kumar Rana

Investigation of metal–organic frameworks and fluorocarbon refrigerants promising for adsorption cooling systems

The Journal of Physical Chemistry B | 129 | 11197-11204

Manasvini Subramanian, Neelanjana Sengupta

Fractal-like Self-Assembly in Citrate Synthase: Delineating Growth Patterns with Coarse-Grained Simulations

Dalton Transactions | 54 | 8142-8151

Santu Goswami, Subham Sarkar, Anisha Guha Roy, Dibyendu Mallick, Debabrata Mukherjee

A tridentate and dianionic N-heterocyclic olefin (NHO) with two unsymmetrically-tethered aryloxide sidearms on bismuth: a fortuitous followed by systematic discovery

International Journal of Mechanical Sciences | 288 | 109962

Kumar Anjneya, Arghya Deb

A meso‑structure based yield stress for fresh concrete

International Journal of Solids and Structures | 316 | 113386

Kumar Anjneya, Arghya Deb

Effect of material fabric on gravity flow in fresh concrete

ACS Applied Materials & Interfaces | 17 | 33834-33845

Dipankar Singha, Jagannath Panda, Malay Kumar Rana

Unleashing the Potential of a Zr-MOF for Selective Amine and Imine Synthesis: An Efficient Heterogeneous Catalyst

Dalton Transactions | 54 | 16006-16013

Sumana Mondal, Subham Sarkar, Chhotan Mandal, Dibyendu Mallick, Debabrata Mukherjee

A digermylene (LGe I –Ge I L) on an N-heterocyclic carbene–fluorenyl hybrid ligand (L) and its oxidation by TEMPO and Ph 2 E 2 (E = S, Se)

International Communications in Heat and Mass Transfer | 169 | 109640

Deepa Gupta, Probir Saha, Somnath Roy

Enhancement of thermo-hydraulic performance in MPF heat sink through perforations fabricated using micro-EDM drilling

Powder Technology | 457 | 120903

Lokeshwar Mahto, Jayanta Chakraborty, Jitendra Kumar, Anurag Tripathi, Maitraye Sen, William Ketterhagen

Decoupling calibration and coarse-graining: Quest for a generalized parameter set for DEM simulation of pharmaceutical powder

Bioconjugate Chemistry | 36 | 1234-1246

Santanu Sar, Shalini Gupta, Gourav Das, Swrajit Nath Sharma, Deepak K, Atanu Ghosh, Siddharam Shivappa Bagale, Sumit Gangopadhyay, Surajit Sinha, Kiran R. Gore

4′-C-Cholesterol/Pyridyl-2′-O-Methyl Uridine-Functionalized siRNA Enhances Stability and Carrier-Free Gene Silencing

Biomaterials Science | 13 | 1818-1830

Mamata Ojha, Pragya Trivedi, Moumita Banerjee, Malabika Bera, Susmita Dey, Amit Kumar Singh, Avijit Jana, N. D. Pradeep Singh

A near infrared light activated phenothiazine based cancer cell specific phototherapeutic system: a synergistic approach to chemo-photothermal therapy

Inorganic Chemistry | 64 | 1798-1807

Sandip Kumar Kuila, Parna Pramanik, Nilanjan Roy, Krishnendu Buxi, Anup Kumar Bera, Partha Pratim Jana

Unprecedented Site Preference of Sn in the Structure of CoSn-Type NiIn1–xSnx (x < 0.7)

Chemistry – A European Journal | 31

Minakshi Ghosh, Shuvendu Saha, Modhu Sudan Maji

Reversed Allylation of 3‐Alkenyl Indoles Using Allyl Boronic Acids: Access to Tryptamine Based Alkaloids

Organic Letters | 27 | 4202-4207

Abhisek Metya, Supreeta Sen, Arya Bhattacharyya, Modhu Sudan Maji

En Route to Anthanthrenes through Bottom-up APEX Strategy by peri-C–H Activation

Chemistry – A European Journal

Arya Bhattacharyya, Abhisek Metya, Modhu Sudan Maji

Bottom‐Up Approach for the Synthesis of Contorted Nanographenes by Cp*Co(III)‐Catalyzed Annulative‐π‐Extension‐Cyclization Cascade

Organic Letters | 28 | 254-259

Sharmila Das, Samrat Kundu, Rik Banerjee, Modhu Sudan Maji

Access to Biaryls via Anilide C–N Bond Activation through Photocatalytic Radical Truce–Smiles Rearrangement

Physical Chemistry Chemical Physics | 28 | 862-870

Arpita Poddar, Jesús Sánchez-Márquez, Alejandro Morales-Bayuelo, Pratim Kumar Chattaraj

Unraveling unusual torquoselectivity in ring-opening electrocyclic reactions: a DFT perspective

Geo-Bio Interfaces | 3

Avishek Dutta, Sourav Mukhopadhyay, Debarshi Mukherjee, Rajendra Prasad Sahu, Srimanti Duttagupta, Abhishek Gupta, Himadri Bose, Abhijit Mukherjee, Pinaki Sar

Microbial community composition and function in groundwater systems of the Deccan Traps

Chemistry – A European Journal | 32

Ganesh Karan, Susanta Bhunia, Shubham Snehil, Modhu Sudan Maji

Boron‐Enolate Enabled Chemoselective Twofold Allylation of Alkenyl‐Keto‐Imines Using Allylboronic Acids: Asymmetric Construction of Nonadjacent Stereocenters

Phys. Rev. E | 111 | 015207

Shipra Verma, Kannabiran Seshasayanan

Effects of radial conductivity variation on the Ponomarenko dynamo

Journal of Luminescence | 280 | 121105

Debrupa Biswas, Pranesh Chowdhury, Nandagopal Bar, Gourab Kanti Das

Experimental and theoretical studies of the optical properties of a pyrene dye-attached polymer for the development of thermal and chemical sensors

Biochemistry | 64 | 3203-3218

Nishant Kumar Choudhary, Swrajit Nath Sharma, Gourav Das, Atanu Ghosh, Siddharam Shivappa Bagale, Surajit Sinha, Kiran R. Gore

Enhanced G-Quadruplex Stability and Anticancer Activity of N2-Aryl Deoxyguanosine-Modified T40214 Oligonucleotides Targeting STAT3 in Prostate Cancer

Dalton Transactions | 53 | 14333-14346

Amit Mondal, Sandip Kumar Kuila, Rahul Pan, Shubham Patel, Krishnendu Buxi, Subhadip Saha, Sivaprasad Ghanta, Maxim Avdeev, Partha Pratim Jana

Understanding of magnetic behavior of the pseudo-binary Co 2− x Ni x Zn 11 : in the light of crystal and electronic structures

2023 IEEE 30th International Conference on High Performance Computing, Data and Analytics Workshop (HiPCW) | 65-94

Arnab K. Paul, Suren Byna

HiPC 2023 Student Research Symposium (HiPC SRS 2023)

Communications in Computer and Information Science | 219-230

P. N. Aravinda Reddy, K. Sreenivasa Rao, Raghavendra Ramachandra, Pabitra Mitra

ExtSwap: Leveraging Extended Latent Mapper for Generating High Quality Face Swapping

Proceedings of the 13th International Joint Conference on Natural Language Processing and the 3rd Conference of the Asia-Pacific Chapter of the Association for Computational Linguistics (Volume 1: Long Papers) | 83-103

Atharva Naik, Soumitra Das, Jyothi Vedurada, Somak Aditya

SYNC: A Structurally Guided Hard Negative Curricula for Generalizable Neural Code Search

Lecture Notes in Civil Engineering | 101-112

Surendra Baniya, Saurabh Kumar Singh, Damodar Maity

A Comparative Study to Evaluate the Performance of Various Deep Learning Models for Damage Identification in a Cantilever Beam

2023 IEEE International Conference on Data Mining (ICDM) | 986-991

Dhruv Deshmukh, Gagan Raj Gupta, Manisha Chawla, Vishwesh Jatala, Anirban Haldar

Entropy Aware Training for Fast and Accurate Distributed GNN

Lecture Notes in Civil Engineering | 13-23

Namrata Mishra, Aditya Kumar Patra, Abhishek Penchala, Samrat Santra

CFD Simulation of Airflow and Pollutant Dispersion in Long Street Canyons

2023 IEEE 20th India Council International Conference (INDICON) | 1155-1160

Pawan Kumar, Somnath Roy, Prasanta Kumar Das

A Comparative Assessment of the Effects of Single and Multiple Stenoses on Hemodynamics of an Idealised Artery Model

Lecture Notes in Mechanical Engineering | 809-821

Siddharth D. Sharma, Piru Mohan Khan, Suman Chakraborty, Somnath Roy

Numerical Study on the Effect of Exercise on Various Configurations of Stenosis in Coronary Artery

Lecture Notes in Mechanical Engineering | 205-213

Chitimada Narendrakumar, K. P. Sinhamahapatra

Assessment of Turbulence Models in Predicting the Mixing Characteristics of Circular Twin Jets

Lecture Notes in Mechanical Engineering | 81-92

Toshan Lal Sahu, Ujjwal Chetan, Prabir Kumar Kar, Saurabh Dhopeshwar, Prasanta Kumar Das, Rajaram Lakkaraju

Entrainment Characteristics of a Swirling Liquid Jet

Lecture Notes in Mechanical Engineering | 567-577

Ujjwal Chetan, Prabir Kumar Kar, Toshan Lal Sahu, Saurabh Dhopeshwar, Rajaram Lakkaraju

Initial Flow Behavior in Laminar Line Source Twin Plumes of Equal Strength

Lecture Notes in Mechanical Engineering | 179-189

Saurabh Dhopeshwar, Ujjwal Chetan, Toshan Lal Sahu, Prabir Kumar Kar, Suman Chakraborty, Rajaram Lakkaraju

Wavy Dynamics of Confined and Inclined Falling Liquid Films

Lecture Notes in Mechanical Engineering | 23-34

Swapnil Maiti, Somnath Roy

Prediction of Bifurcation Phenomenon Inside a Sudden Expansion Pipe Using Neural Network

Lecture Notes in Mechanical Engineering | 723-733

Pawan Kumar, Somnath Roy, Prasanta Kumar Das

Effect of Stenosis Severity on the Hemodynamics of an Idealized Straight Arterial Tube

Lecture Notes in Mechanical Engineering | 409-418

Rajosik Adak, Arindam Mandal, Sandeep Saha

Aerodynamic Performance of a Tandem Wing Configuration Inspired from Dragonfly Gliding Flight for MAV Application

Small | 20

Rupam Sahoo, Bikram Pramanik, Supriya Mondal, Madhab C. Das

A Highly Chemically Robust 3D Interpenetrated MOF Heterogeneous Catalyst for the Synthesis of Hantzsch 1,4‐Dihydropyridines and Drug Molecules

Nanoscale | 16 | 21482-21495

Sudipta Khamrui, Kamini Bharti, Daniella Goldfarb, Tilak Das, Debamalya Banerjee

Exploring spin multiplicity in MoS 2

ACS Sustainable Chemistry & Engineering | 12 | 14276-14287

Aashi, Abhirup Chaudhuri, Krishankant, Vikas Pundir, Zubair Ahmed, Chandan Bera, Chirodeep Bakli, Vivek Bagchi

Unveiling the Potential of Metal–Organic Frameworks: Nucleation-Induced Strain Activating Electrocatalytic Water Splitting

Physical Review A | 110

Hari Sadhan Ghosh, Soumyadeep Halder, Subrata Das, Sonjoy Majumder

Induced supersolidity and hypersonic flow of a dipolar Bose-Einstein condensate in a rotating bubble trap

Physical Review Fluids | 9

Chandra Shekhar Lohani, Suraj Kumar Nayak, Kannabiran Seshasayanan

Effect of confinement on the transition from two- to three-dimensional fast-rotating turbulent flows

Physics of Fluids | 36

Abhishek Sharma, Gaurav Singh, Rajaram Lakkaraju, Arnab Atta

Hydrodynamics of particle-free and particle-laden laminar flows in sharply bent channels

Journal of Fluid Mechanics | 980

Nandan Sarkar, Somnath Roy

Periodic flow features in a planar sudden expansion with pulsatile inflow velocity

Physics of Fluids | 36

Ribhu Pal, Arnab Roy, Shreyashri Sarkar, Pratip Ghoshal, Pabitra Halder

Numerical study of turbulent kinetic energy amplification during shock-wave diffraction

The Journal of Organic Chemistry | 89 | 3747-3768

Sumit Gangopadhyay, Gourav Das, Shalini Gupta, Atanu Ghosh, Siddharam Shivappa Bagale, Pritam Kumar Roy, Mahitosh Mandal, S. Harikrishna, Surajit Sinha, Kiran R. Gore

4′-C-Acetamidomethyl-2′-O-methoxyethyl Nucleic Acid Modifications Improve Thermal Stability, Nuclease Resistance, Potency, and hAgo2 Binding of Small Interfering RNAs

Bioorganic & Medicinal Chemistry | 100 | 117616

Avijit Sahoo, Gourav Das, Atanu Ghosh, Siddharam Shivappa Bagale, Nishant Kumar Choudhary, S. Harikrishna, Surajit Sinha, Kiran R. Gore

N3-Methyluridine and 2′-O-Alkyl/2′-Fluoro-N3-methyluridine functionalized nucleic acids improve nuclease resistance while maintaining duplex geometry

Monthly Notices of the Royal Astronomical Society | 529 | 3372-3386

Khandakar Md Asif Elahi, Somnath Bharadwaj, Srijita Pal, Abhik Ghosh, Sk Saiyad Ali, Samir Choudhuri, Arnab Chakraborty, Abhirup Datta, Nirupam Roy, Madhurima Choudhury, Prasun Dutta

Towards 21-cm intensity mapping at z = 2.28 with uGMRT using the tapered gridded estimator – IV. Wide-band analysis

Journal of Mountain Science | 21 | 292-312

Shuvankar Das, Debarghya Chakraborty

Effect of eccentric and inclined loading on the bearing capacity of strip footing placed on rock mass

Journal of the Mechanics and Physics of Solids | 187 | 105624

Rakesh Kumar Barik, Tellakula Jayasree, Sankalp Biswal, Abhijit Ghosh, Debalay Chakrabarti

Investigating the ductile to brittle transition phenomenon in binary Fe-Ni systems using molecular dynamics simulation

Journal of Chemical Sciences | 136

Arpita Poddar, Akshay Chordia, Pratim Kumar Chattaraj

QSPR models for n-octanol/water partition coefficient and enthalpy of vaporization using CDFT and information theory-based descriptors

Physical Chemistry Chemical Physics | 26 | 7747-7764

Dipak Prasad, Nilanjan Mitra

Stereomutations in silicate oligomerization: the role of steric hindrance and intramolecular hydrogen bonding

Physics of Fluids | 36

Piru Mohan Khan, Siddharth D. Sharma, Suman Chakraborty, Somnath Roy

Effects of hematocrit levels on flow structures and stress levels in the healthy and diseased carotid arteries

Applied Thermal Engineering | 245 | 122872

Gloria Biswal, Sukanta Kumar Dash

Numerical investigation of unsteady heat transfer from a vertical helical coil

Theoretical Chemistry Accounts | 143

Arunima Ghosh, Rahul Sahu, Sandeep K. Reddy

Constructing one-dimensional supramolecular polymer structures using particle swarm optimization technique

Chemistry – A European Journal | 30

Srinu Kotha, Rahul Sahu, Aditya Chandrakant Yadav, Karteek K. Bejagam, Sandeep K. Reddy, Kotagiri Venkata Rao

Pathway Selection in Temporal Evolution of Supramolecular Polymers of Ionic π‐Systems: Amphiphilic Organic Solvent Dictates the Fate of Water

Journal of Chemical Information and Modeling | 64 | 4250-4262

Sunita Muduli, Soumyajit Karmakar, Sabyashachi Mishra

Conformational Dynamics in Corynebacterium glutamicum Diaminopimelate Epimerase: Insights from Ligand Parameterization, Atomistic Simulation, and Markov State Modeling

Journal of Medicinal Chemistry | 67 | 10321-10335

Ranabir Majumder, Shreya Banerjee, Madhurima Mandal, Sucharita Patra, Subhasis Das, Mahitosh Mandal

A Virtual Drug Discovery Screening Illuminates Campesterol as a Potent Estrogen Receptor Alpha Inhibitor in Breast Cancer

Computers and Geotechnics | 172 | 106443

Shuvankar Das, Debarghya Chakraborty

Influence of rotated anisotropy and spatial variability of undrained clay on bearing capacity of strip footings under eccentric loading

Physics of Fluids | 36

Gangadhar V. R. Pinapatruni, Mouli Bhaskar Duddupudi, Sunil Manohar Dash, Aurobinda Routray

On the investigation of the aerodynamics performance and associated flow physics of the optimized tubercle airfoil

Physical Review B | 110

Shubham Patel, Soumyasree Jena, A. Taraphder

Electron-phonon coupling, critical temperatures, and gaps in NbSe 2 / MoS 2 Ising superconductors

ACS Medicinal Chemistry Letters | 15 | 1250-1259

Avijit Sahoo, Shalini Gupta, Gourav Das, Atanu Ghosh, Siddharam Shivappa Bagale, Surajit Sinha, Kiran R. Gore

2′-O-Alkyl-N3-Methyluridine Functionalized Passenger Strand Improves RNAi Activity by Modulating the Thermal Stability

Physical Review B | 110

Shubham Patel, Narayan Mohanta, Snehasish Nandy, Subhendra D. Mahanti, A. Taraphder

Layer-dependent electronic structures and magnetic ground states of polar-polar LaVO 3 / KTaO 3 (001) heterostructures

CCS Chemistry | 7 | 519-531

Tianyang Xu, Sayan Paul, Chengkai Zhang, Mohammad Azam, Bao-Liang Han, Wei-Dan Si, Zhi Wang, Zhi-Yong Gao, Anakuthil Anoop, Chen-Ho Tung, Di Sun

Boosting Circularly Polarized Luminescent and Decagram-Scale Mechanochemistry Synthesis of Atomically Precise Superstructure from Achiral Silver Cluster and Chiral Cyclodextrin

Journal of Chemical Information and Modeling | 64 | 5580-5589

Ranabir Majumder, Shreya Banerjee, Sayan Paul, Saugat Mondal, Madhurima Mandal, Priya Ghosh, Debjit Maity, Anakuthil Anoop, N. D. Pradeep Singh, Mahitosh Mandal

Riboflavin-Induced DNA Damage and Anticancer Activity in Breast Cancer Cells under Visible Light: A TD-DFT and In Vitro Study

ACS Applied Nano Materials | 7 | 13447-13456

Priyabrata Sahoo, Vijaya Kumar Gangaiah, Kuntal Singh, Ankita Narwal, Sandeep Kumar Reddy, Sharma S. R. K. C. Yamijala, K. D. M. Rao, H. S. S. Ramakrishna Matte

Identification of Environmentally Friendly Solvents to Exfoliate and Stabilize the Dispersions of Antimony Sulfide Nanosheets for Optoelectronic Applications

ChemPhysChem | 25

Rahul Sahu, Sharma S. R. K. C. Yamijala, Kotagiri Venkata Rao, Sandeep K. Reddy

Dispersion‐Driven Cooperativity in Alkyl Perylene Diimide Oligomers: Insights from Density Functional Theory

Chemistry of Materials

Mozakkar Hossain, Kuntal Singh, Ankita Narwal, Md Sariful Sheikh, Sandeep K Reddy, Kiran Vankayala, Asha Singh, Saleem Khan, Salahuddin Khan, Praveen Kumar Velpula, Manohar Chirumamilla, Sharma S. R. K. C. Yamijala, G. Krishnamurthy Grandhi, Paola Vivo, K. D. M. Rao

Unveiling Double A-Site Cation Perovskite-Inspired Materials: From 0D-Cs3Bi2I9 to 2D-Cs2AgBi2I9 with Enhanced Charge Transport

Journal of Materials Chemistry A | 12 | 21165-21175

Subir K. Pati, Dhananjaya Patra, Sunita Muduli, Sabyashachi Mishra, Sungjune Park

Conjugated polymer electrodes fabricated using rylene-based acceptors toward high energy and power density symmetric supercapacitors operable in an organic electrolyte environment

The Journal of Chemical Physics | 160

Harshdeep Singh, Sonjoy Majumder, Sabyashachi Mishra

Hückel molecular orbital theory on a quantum computer: A scalable system-agnostic variational implementation with compact encoding

Physical Chemistry Chemical Physics | 26 | 15405-15416

Moromi Nath, Shalini Joshi, Sabyashachi Mishra

Ab initio calculation of magnetic anisotropy and thermal spin transition in the variable temperature crystal conformations of [Co(terpy) 2 ] 2+

2023 IEEE Symposium Series on Computational Intelligence (SSCI) | 1322-1327

Preeti Jha, Aruna Tiwari, Neha Bharill, Milind Ratnaparkhe, Om Prakash Patel, Anjali Gupta, Deepali Sukhija, Deepika Sukhija, Rajesh Dwivedi

Scalable Kernelized Deep Fuzzy Clustering Algorithms for Big Data

2024 International Conference on Trends in Quantum Computing and Emerging Business Technologies | 1-6

Ajanta Das, Amlan Chakrabarti

A Comprehensive Study of Noise Models Simulation Using Various Quantum Simulators

Chemical Engineering Journal | 482 | 149162

Dhananjaya Patra, Subir K. Pati, Sunita Muduli, Sabyashachi Mishra, Sungjune Park

Highly planar pseudocapacitive semiconducting polymer electrodes toward symmetric supercapacitors with a wide range of operating potentials

Biophysical Journal | 123 | 208a

Sunita Muduli, Soumyajit Karmakar, Sabyashachi Mishra

Role of electrostatic environment in modulating structural dynamics and ligand binding in microbial CGDapF

The Journal of Physical Chemistry Letters | 15 | 7603-7609

Pijush Karak, Pradipta Manna, Ambar Banerjee, Kenneth Ruud, Swapan Chakrabarti

Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet–Triplet Gap System: A Wigner Phase Space Study

Physical Chemistry Chemical Physics | 26 | 5344-5355

Pijush Karak, Torsha Moitra, Ambar Banerjee, Kenneth Ruud, Swapan Chakrabarti

Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling

International Journal of Quantum Chemistry | 124

Arka Prava Sarkar

Investigating the Role of Anions in the Adsorption of Pyrrolidinium Based Ionic Liquids on Pt(111) Surface Using Density Functional Theory

International Journal of Hydrogen Energy | 95 | 449-462

Ranjini Sarkar, Tarun Kumar Kundu

Unveiling the electronic, optical, and water-splitting properties of rare earth single-atom catalysts supported on graphitic carbon nitride monolayer: A DFT study

Journal of Energy Storage | 102 | 114023

Ankita Narwal, Subhadeep Banerjee, Sandeep K. Reddy, Sharma S.R.K.C. Yamijala

AB–stacked bilayer β12–borophene as a promising anode material for alkali metal-ion batteries

Journal of Engineering for Gas Turbines and Power | 147

Ajey Singh, Chetan Mistry

Study of Tandem Rotor Dual Wake Interaction With Downstream Stator Under Unsteady Numerical Approach

Journal of Fluids and Structures | 127 | 104126

Gaurav Singh, Arahata Senapati, Arnab Atta, Rajaram Lakkaraju

Generating periodic vortex pairs using flexible structures

Polyhedron | 256 | 116990

Shanti Gopal Patra, Pratim Kumar Chattaraj

Three coordinated first row-transition metal complexes, [M{N(SiMe3)2}3]−1/0: Structure, bonding, and magnetic properties

Computers & Fluids | 281 | 106367

Debajyoti Kumar, Siddharth D. Sharma, Somnath Roy

GPU optimized multi-block-multi-mesh immersed boundary method for flows in complex arterial models

Physics of Fluids | 36

Pawan Kumar, Somnath Roy, Prasanta Kumar Das

Stenosis severity and heart rate effects on left coronary artery hemodynamics and myocardial oxygen balance: A comprehensive assessment using pressure gradient

Computers, Materials & Continua | 79 | 1727-1755

Parth Khandelwal, Indranil Manna

Intelligent Design of High Strength and High Conductivity Copper Alloys Using Machine Learning Assisted by Genetic Algorithm

Sādhanā | 49

Harshad Bhusare, Nandan Sarkar, Debajyoti Kumar, Somnath Roy

Accelerated CFD computations on multi-GPU using OpenMP and OpenACC

Scientific Reports | 14

Jobin Thomas, Anupam Ghosh, Shivendu Ranjan, Jitendra Satija

Cheminformatics approach to identify andrographolide derivatives as dual inhibitors of methyltransferases (nsp14 and nsp16) of SARS-CoV-2

Physical Review Letters | 132

Sudipto Das, Sahana Das, Sudhansu S. Mandal

Fractional Quantum Hall States of the A Phase in the Second Landau Level

Chemical Communications | 60 | 4553-4556

Sumana Mondal, Subham Sarkar, Chhotan Mandal, Dibyendu Mallick, Debabrata Mukherjee

Fluorenyl-tethered N-heterocyclic carbene (NHC): an exclusive C-donor ligand for heteroleptic calcium and strontium chemistry

Acta Mechanica | 235 | 2675-2694

Ujjwal Chetan, Prabir Kumar Kar, Toshan Lal Sahu, Saurabh Dhopeshwar, Jagannath Mahato, Konduri Aditya, Rajaram Lakkaraju

Laminar line source starting plumes and their interaction with energy expulsion events

Human & Experimental Toxicology | 43

Sushma Jahagirdar, Harshini Praveen Kumar, Smitha S Bhat, Arpita Poddar, Pratim Kumar Chattaraj, Sheikh F Ahmad, Shashanka K Prasad

In silico evaluations of phytochemicals from Withania somnifera exhibiting anticancer activity against NAD[P]H-quinone oxidoreductase

Computational Materials Science | 233 | 112766

Roshan Kumar Jha, Ranjeet Kumar, Amlan Dutta, Sumantra Mandal

Implication of site-specific segregation on grain boundary structural transition and deformation response in nanocrystalline Ni-Nb alloy

Polyhedron | 251 | 116849

Sumana Mondal, Subham Sarkar, Dibyendu Mallick, Debabrata Mukherjee

Fluorenyl-tethered N-heterocyclic carbene: An effective ancillary support for heteroleptic magnesium organometallics

Chemistry of Materials | 36 | 10537-10551

Vinay Maithani, Sumantra Das, Sankha Mukherjee

Cooperative Transport of Lithium in Disordered Li10MP2S12 (M = Sn, Si) Electrolytes for Li-Ion Batteries

Proceedings of the Institution of Mechanical Engineers, Part E: Journal of Process Mechanical Engineering

Tapasendra Adhikary, Gour Prasad Das, Somjeet Biswas, Shampa Aich

Mechanical behavior of Ni/Ti bilayer-based shape memory alloys: Endorsement via atomistic simulations

Organometallics | 43 | 1308-1316

Santu Goswami, Subham Sarkar, Dibyendu Mallick, Debabrata Mukherjee

An Imidazolium Salt That Uncharacteristically Avoids the Imminent Deprotonation of Its Acidic 2-H Proton by KN(SiMe3)2

Organic Letters | 26 | 6236-6240

Souvik Ray, Saikat Roy, Suchhanda Biswas, Mamata Ojha, N. D. Pradeep Singh

A Molecular Engineering Approach to Achieve Wavelength-Selective Photorelease Using a Dynamic Photocage

The Journal of Chemical Physics | 161

Ankit Gupta, P. S. Burada

Role of obstacle softness in the diffusive behavior of active particles

Computational and Theoretical Chemistry | 1235 | 114568

Anindita Pati, T.K. Kundu, Snehanshu Pal

Exploring the influence of bis-phosphine ligands on lanthanide complexes: A DFT study

ACS Earth and Space Chemistry | 8 | 348-360

Sunanda Panda, Anakuthil Anoop

Potential Prebiotic Pathways in Extraterrestrial Atmosphere: A Computational Exploration of HCN and NH3 Reactions

The Journal of Physical Chemistry C | 128 | 17328-17341

Prakhar Verma, Sreeraj Puravankara, Jayanta Chakraborty

Combination of a Phase-Field Model with Nucleation Kinetics to Simulate Lithium Dendrite Growth

Nature Physics | 20 | 402-408

SeungJung Huh, Koushik Mukherjee, Kiryang Kwon, Jihoon Seo, Junhyeok Hur, Simeon I. Mistakidis, H. R. Sadeghpour, Jae-yoon Choi

Universality class of a spinor Bose–Einstein condensate far from equilibrium

Dalton Transactions | 53 | 17343-17350

Chhotan Mandal, Subham Sarkar, Sourav Panda, Dibyendu Mallick, Debabrata Mukherjee

Synthesis and reactivity of a heteroleptic magnesium hydride on a dearomatized picolyl-based NNN-chelator

Nanoscale | 16 | 13885-13894

Vinay Arya, Abhirup Chaudhuri, Chirodeep Bakli

Passive fractionating mechanism for oil spill using shear-wettability modulation

Electrochimica Acta | 491 | 144306

Samyabrata Chatterjee, Pabbu Surya Ganesh, Monojit Chakraborty

Molecular insight into sequence-defined polyelectrolytes for energy storage devices

ACS Applied Materials & Interfaces | 16 | 21486-21497

Mamata Ojha, Moumita Banerjee, Madhurima Mandal, Tara Singha, Souvik Ray, Prasanta K. Datta, Mahitosh Mandal, Anakuthil Anoop, N. D. Pradeep Singh

Two-Photon-Responsive “TICT + AIE” Active Naphthyridine-BF2 Photoremovable Protecting Group: Application for Specific Staining and Killing of Cancer Cells

The Journal of Chemical Physics | 160

Vinay Arya, Abhirup Chaudhuri, Chirodeep Bakli

Wettability-modulated behavior of polymers under varying degrees of nano-confinement

Physical Review E | 109

Arunava Das, Pinaki Dutta, Vishwanath Shukla

Poles, shocks, and tygers: The time-reversible Burgers equation

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 312 | 124031

Nandagopal Bar, Pranesh Chowdhury, Gourab Kanti Das

The photodynamic approach to the molecular-level origin of metal-guided photochromism and ultrafast absorption spectroscopy

The Journal of Physical Chemistry C | 128 | 16879-16891

Pijush Karak, Rajannya Adhikary, Swapan Chakrabarti

Nonradiative Spin-Forbidden Decay Processes in π- and Multiresonance-Acceptor-Based TADF Molecules

Journal of Chemical Sciences | 136

Keya Ghosh, Ashok Mandi, Nandagopal Bar, Arindam Ray, Dhrubajyoti Mondal, Gourab Kanti Das, Pranesh Chowdhury

Synthesis of a new Schiff base probe: Crystal structure, spectral properties, understanding and prospect

Journal of Luminescence | 271 | 120611

Ashok Mandi, Nandagopal Bar, Debrupa Biswas, Arindam Ray, Keya Ghosh, Dhrubajyoti Mondal, Gourab Kanti Das, Pranesh Chowdhury

Rhodamine 6G salicylaldehyde hydrazone-Zn complex: Synthesis, characterization, photochromism, understanding, and application

Langmuir | 40 | 25849-25861

Itishree Panda, Samyabrata Chatterjee, Monojit Chakraborty, Sunando DasGupta

Multiscale Investigation of Liquid Imbibition on an Electrodeposited Rough Surface

Physica B: Condensed Matter | 698 | 416661

Safikul Islam, Niladri Sekhar Kander, Sajib Biswas, Amal Kumar Das

First-principles studies on the magnetic properties, exchange interactions and spin Hall conductivity of the half-Heusler alloy MgMnGe

Advanced Theory and Simulations | 8

Uday Sankar Midya, Sanjoy Bandyopadhyay

Antifreeze Protein Activity: From Ice Binding to Ice Growth Inhibition

Chemistry – An Asian Journal | 20

Moumita Banerjee, Sandip Giri, Anakuthil Anoop

Computational Investigation of Meso‐Substituted, Heavy Atom‐Free BODIPY Derivatives as Photosensitizers: Insights From TDDFT and Dynamics Studies

Journal of Molecular Graphics and Modelling | 135 | 108926

Manjul Yadav, Shalmali Kharche, Shikha Prakash, Durba Sengupta

Benchmarking a dual-scale hybrid simulation framework for small globular proteins combining the CHARMM36 and Martini2 models

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 329 | 125551

Debrupa Biswas, Pranesh Chowdhury, Nandagopal Bar, Gourab Kanti Das

Pyrene-attached new Schiff base polymer: ACQ to AIE conversion and its prospects

Bioactive Materials | 44 | 116-130

Qi Wu, Krishanu Ghosal, Nadine Kana'an, Shounak Roy, Nagham Rashed, Ranabir Majumder, Mahitosh Mandal, Liang Gao, Shady Farah

On-demand imidazolidinyl urea-based tissue-like, self-healable, and antibacterial hydrogels for infectious wound care

Journal of Physics D: Applied Physics | 58 | 035004

Tilak Das, Pablo Nieves, Dominik Legut

Large magnetocrystalline anisotropic energy and its impact on magnetostriction of L10-FePt

Angewandte Chemie International Edition | 64

Wei‐Dong Tian, Chengkai Zhang, Sayan Paul, Wei‐Dan Si, Zhi Wang, Pan‐Pan Sun, Anakuthil Anoop, Chen‐Ho Tung, Di Sun

Lattice Modulation on Singlet‐Triplet Splitting of Silver Cluster Boosting Near‐Unity Photoluminescence Quantum Yield

Scripta Materialia | 257 | 116478

Indu Avula, Zimmi Singh, Sankha Mukherjee, Mangal Roy

Micromechanical behavior of BCC phases in TiTaNbZrMo and Ti5Ta35Nb20Zr20Mo20 refractory high entropy alloys for total joint replacement

Acta Mechanica

Jagannath Mahato, Toshan Lal Sahu, Ujjwal Chetan, Prabir Kumar Kar, Dhananjay Kumar Srivastava, Rajaram Lakkaraju

Large eddy simulation of flow separation-induced disturbance evolution inside a sudden contracting nozzle

Advanced Theory and Simulations | 8

Arka Prava Sarkar, Sandeep K. Reddy

Adsorption of Imidazolium‐Based Ionic Liquid On Pt(111) Surface Studied Using Density Functional Theory

The Aeronautical Journal | 129 | 42-62

R. Kumar, A. Ghosh

Instability of isolator shocks to fuel flow rate modulations in a strut-stabilised scramjet combustor

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 329 | 125541

Rajat Kumar, Nitesh Kumar Pathak, Jayanta Kumar Sarkar, Umakanta Tripathy, Prasanta Kumar Datta

Vibrational spectra of serotonin by terahertz time domain spectroscopy and DFT simulations

ASME Journal of Heat and Mass Transfer | 147

Abhinav Singh, Indranil Ghosh

Numerical Investigations of a Single Loop Pulsating Heat Pipe for Cryogenic Applications

Organic Letters | 26 | 1705-1710

Samrat Kundu, Chayan Ghosh, Abhisek Metya, Ankush Banerjee, Modhu Sudan Maji

Carbazoquinocin Analogues as Small Molecule Biomimetic Organocatalysts in Dehydrogenative Coupling of Amines

Angewandte Chemie International Edition | 63

Ganesh Karan, Samrat Sahu, Abhisek Metya, Modhu Sudan Maji

Asymmetric 1,2‐Migration at Vicinal Tetrasubstituted Stereocenters Constructed from α‐Keto Imines

Chemical Science | 15 | 13466-13474

Sharmila Das, Samrat Kundu, Abhisek Metya, Modhu Sudan Maji

A toolbox approach to revealing a series of naphthocarbazoles to showcase photocatalytic reductive syntheses

Angewandte Chemie International Edition | 63

Susanta Bhunia, Ganesh Karan, Shubham Snehil, Modhu Sudan Maji

Direct Asymmetric Synthesis of α‐Aminoimines from 1,2‐Bis‐N‐Sulfinylimines by Using Allyl Boronic Acids

Physics of Fluids | 36

Xiaoyu Wang, Cheng Zhang, Hongchen Su, Shaowei Li, Junwei Shen, Yuning Zhang, Jingtao Li, Yuning Zhang

Research on cavitation bubble behaviors between a dual-particle pair

The Journal of Organic Chemistry | 89 | 15764-15776

Swagata Das, Sayan Paul, Kishor Kumar Mandal, Anakuthil Anoop, Samik Nanda

Asymmetric Total Synthesis of Naturally Occurring (R)-2′-Methoxydihydroartemidin,(R)-(E)-3′-Hydroxyartemidin, and Its Structural Congeners: Method Optimization and Mechanistic Analysis

The Journal of Physical Chemistry B | 128 | 1170-1178

Uday Sankar Midya, Sanjoy Bandyopadhyay

Ice Recrystallization Unveils the Binding Mechanism Operating at a Diffused Interface

Journal of Materials Chemistry C | 11 | 1457-1463

Dhananjaya Patra, Xin Zhan, Rajkumari Linthoinganbi, Sunita Muduli, Sabyashachi Mishra, Yao Liu, Sungjune Park

Synthesis and application of dual electron-deficient featured copolymers and their sequential fluorination for ambipolar organic thin film transistors

Physics of Fluids | 35

Apurva Raj, Somnath Roy

Lift characteristics of an airfoil at low Reynolds numbers for Newtonian and shear-thinning Carreau fluids

Physical Chemistry Chemical Physics | 25 | 17680-17691

Shalini Joshi, Sabyasachi Roy Chowdhury, Sabyashachi Mishra

Spin-state energetics and magnetic anisotropy in penta-coordinated Fe( iii ) complexes with different axial and equatorial ligand environments

Computational Biology and Chemistry | 103 | 107832

Atanuka Paul, Sabyashachi Mishra

Deciphering the role of the two metal–binding sites of DapE enzyme via metal substitution

Journal of Fluid Mechanics | 971

Parth Thaker, Joseph Mathew, Somnath Ghosh

Invariants of the velocity gradient tensor in a spatially developing compressible round jet

Physics of Fluids | 35

Piru Mohan Khan, Siddharth D. Sharma, Suman Chakraborty, Somnath Roy

Effect of heart rate on the hemodynamics in healthy and stenosed carotid arteries

Physics of Fluids | 35

Sunil Rawat, Nilanjan Mitra

Atomistic insight into the shock-induced bubble collapse in water

The Journal of Chemical Physics | 159

Kishan Kumar Dakua, Karunamoy Rajak, Sabyashachi Mishra

The interplay of vibronic and spin–orbit coupling in the fluorescence quenching in trans-dithionated PDI

Case Studies on Transport Policy | 12 | 100992

Swapnil Shende, Eeshan Bhaduri, Arkopal Kishore Goswami

Analyzing changes in travel patterns due to Covid-19 using Twitter data in India

AIAA AVIATION 2023 Forum

Mansi Babbar, Somnath Ghosh

Large eddy simulation of supersonic turbulent pipe flow at moderate Reynolds number

Proteins: Structure, Function, and Bioinformatics | 91 | 781-797

Sunita Muduli, Sabyashachi Mishra

Ligands‐induced open‐close conformational change during DapE catalysis: Insights from molecular dynamics simulations

RSC Advances | 13 | 5134-5148

Himabindu Battula, Moromi Nath, Sabyashachi Mishra, Subbalakshmi Jayanty

Spirocyclic rhodamine B benzoisothiazole derivative: a multi-stimuli fluorescent switch manifesting ethanol-responsiveness, photo responsiveness, and acidochromism

Monthly Notices of the Royal Astronomical Society | 522 | 5690-5700

Tanima Mondal, Suman Pramanick, Lekshmi Resmi, Debanjan Bose

Probing gamma-ray burst afterglows with the Cherenkov Telescope Array

AIAA SCITECH 2023 Forum

Swagatika Pradhan, Somnath Ghosh

LES of compressible round jet impinging on flat plate

Small | 19

Subir K. Pati, Dhananjaya Patra, Sunita Muduli, Sabyashachi Mishra, Sungjune Park

Energy Storage Application of Conducting Polymers Featuring Dual Acceptors: Exploring Conjugation and Flexible Chain Length Effects

Atoms | 11 | 115

Sayon Satpati, Tarun Roy, Anakuthil Anoop, Venkatesan S. Thimmakondu, Subhas Ghosal

Energetic and Spectroscopic Properties of the Low-Lying Isomers of C5H: A High-Level Ab Initio Study

ChemPhysChem | 24

Meghna Ghosh, Sanjukta Parida, Huma Khatoon, Nanigopal Bera, Sabyashachi Mishra, Nilmoni Sarkar

Excited State Photophysics of Curcumin and its Modulation in Alkaline Non‐Aqueous Medium

2023 IEEE BioSensors Conference (BioSensors) | 1-4

Souvik Biswas, Arijit Pal, Koel Chaudhury, Soumen Das

Quantitative Estimation of Ascorbic Acid using Graphene Oxide: Experimental Validation of First-principle Analysis

Materials Chemistry Frontiers | 7 | 689-697

Flora Banerjee, Suman Kalyan Samanta

Hierarchical porous organic polymers via the in situ construction of the BINOL entity: versatile and efficacious adsorbents for multiple industrial toxic contaminants in water

Atoms | 11 | 96

Sayon Satpati, Tarun Roy, Sandip Giri, Anakuthil Anoop, Venkatesan S. Thimmakondu, Subhas Ghosal

Structure and Bonding Patterns in C5H4 Isomers: Pyramidane, Planar Tetracoordinate Carbon, and Spiro Molecules

Journal of Molecular Liquids | 384 | 122292

Subrata Kumar Padhan, Sunita Muduli, Narayan Murmu, Gokarneswar Sahoo, Sabyashachi Mishra, Satya Narayan Sahu

A coumarin-salicylidene based fluorescent chemodosimeter for sub-ppb level detection of aluminium ion via metal ion induced hydrolytic cleavage of aldimine bond

2023 IEEE BioSensors Conference (BioSensors) | 1-4

Arijit Pal, Souvik Biswas, Koel Chaudhury, Soumen Das

MoS 2 Functionalized Paper Sensor for Quantification of Glucose: Experimental Observation and Ab-Initio Calculations

Physics of Fluids | 35

Ribhu Pal, Arnab Roy, Pabitra Halder

Numerical studies of shock–vortex interaction over a wedge during shock-wave diffraction—A new approach

ACS Applied Nano Materials | 6 | 15002-15011

Sudharanjan Bera, Flora Banerjee, Suman Kalyan Samanta

Bowl-Shaped Phosphate-Based Polymer Nanocontainers Loaded with Pd Nanoparticles for Catalytic C–C Coupling Reactions

2023 International Conference on Recent Advances in Electrical, Electronics & Digital Healthcare Technologies (REEDCON) | 536-540

Souvik Biswas, Arijit Pal, Soumen Das, Koel Chaudhury

Selective Detection of Dopamine using 2D-hBN : A First Principle Analysis

ChemNanoMat | 9

Sudharanjan Bera, Flora Banerjee, Suman Kalyan Samanta

A Phosphate‐based Organic Polymer Nanocontainer Efficiently Hosts Ag/Ru Nanoparticles for Heterogeneous Catalytic Reduction of Nitroaromatics and Oxidation of Benzyl Alcohols

Dalton Transactions | 52 | 15394-15411

Shriya Saha, Thomas Doughty, Dibyendu Banerjee, Sunil K. Patel, Dibyendu Mallick, E. Siva Subramaniam Iyer, Souvik Roy, Raja Mitra

Electrocatalytic reduction of CO 2 to CO by a series of organometallic Re( i )-tpy complexes

The Journal of Organic Chemistry | 88 | 16248-16258

Hemonta Kumar Saha, Dibyendu Mallick, Soumyajit Das

Dibenzoheterole-Fused s-Indacenes

Scientific Reports | 13

Ashesh Rudra Paul, Rajib Maity

Future projection of climate extremes across contiguous northeast India and Bangladesh

Journal of Waterway, Port, Coastal, and Ocean Engineering | 149

Swapnadip De Chowdhury, Jian Guo Zhou, Anatoliy Khait, Tim Pullen, Derek Causon, Ling Qian, Clive Mingham

Wind Effects on Wave Overtopping at a Vertical Sea Defense

Journal of Electronic Materials | 52 | 3146-3155

Anupriya Nyayban, Subhasis Panda, Avijit Chowdhury

Theoretical Study of Bromide Mixed-RbPbI3 Towards Optoelectronic Applications

Journal of Organometallic Chemistry | 1001 | 122887

Poulami Pal, Gourab Kanti Das

Mechanistic insights highlight regioselective Cobalt-catalyzed [3+3] annulation of anilides with benzylallenes

Journal of Fluid Mechanics | 962

Shalini Singh, P.V.S.N. Murthy

Significance of skewness and kurtosis on the solute dispersion in pulsatile Carreau–Yasuda fluid flow in a tube with wall absorption

Journal of Mechanical Science and Technology | 37 | 2981-2991

Ch. Narendra Kumar, K. P. Sinhamahapatra

Numerical study on mixing characteristics of symmetrical and asymmetrical twin jets

Organic Letters | 25 | 5089-5093

Priyank Kumar Sharma, Dibyendu Mallick, Soumyajit Das

A Thiophenoradialene-Embedded Polycyclic Heteroterphenoquinone Exhibiting Dominant Antiaromatic Traits

Inorganic Chemistry | 62 | 1423-1436

Dipak Prasad, Nilanjan Mitra

Catalytic Behavior of Hydrogen Bonded Water in Oligomerization of Silicates

Hydrogeology Journal | 31 | 1883-1902

Saumava Dey, Anirban Dhar

A reduced-order framework for three-dimensional-equivalent confined groundwater modeling with emphasis on well-boundary implementation

Dalton Transactions | 52 | 11465-11480

Nirmalya Podder, Anannya Saha, Suman K. Barman, Sukanta Mandal

Flavonol dioxygenation catalysed by cobalt( ii ) complexes supported with 3N(COO) and 4N donor ligands: a comparative study to assess the carboxylate effects on quercetin 2,4-dioxygenase-like reactivity

Angewandte Chemie | 135

Sudip Baguli, Subham Sarkar, Soumajit Nath, Dibyendu Mallick, Debabrata Mukherjee

Divergent Synthesis of Chelating Aziridines and Cyclic(Alkyl)(Amino)Carbenes (CAACs) from Pyridyl‐Tethered Robust Azomethine Ylides

Journal of Macromolecular Science, Part A | 60 | 568-579

Sumana Pal, Pranesh Chowdhury, Nandagopal Bar, Arindam Ray, Debrupa Biswas, Gourab Kanti Das

Improved version of oligo(2,4-diaminotoluene): synthesis, characterization, understanding, and application

Physics of Fluids | 35

Abhishek Sharma, Rajaram Lakkaraju, Arnab Atta

Insight into the particle-laden turbulent flow statistics in sharply bent channels

International Journal of Biological Macromolecules | 253 | 127453

Shreya Banerjee, Ranabir Majumder, Budhaditya Mukherjee, Mahitosh Mandal

Selective ADA2 inhibition for enhancing anti-tumor immune response in glioma: Insights from computational screening of flavonoid compounds

Physics of Fluids | 35

Debajyoti Kumar, Somnath Roy

Simulation of flow over a fixed and oscillating circular cylinder with different surface roughness patterns using a multi-block-multi-mesh framework immersed boundary method

Molecular Catalysis | 536 | 112911

Jyoti Upadhyay, Swayam Prabha Misra, Silvia Irusta, Sudhanshu Sharma, Parag A. Deshpande

Oxidation of aldehydes to carboxylic acids over geopolymer supported CuO

Physics of Fluids | 35

Abhishek Sharma, Rajaram Lakkaraju, Arnab Atta

Influence of channel bend angle on the turbulent statistics in sharply bent channel flows

The Journal of Chemical Physics | 159

Harshdeep Singh, Sonjoy Majumder, Sabyashachi Mishra

Benchmarking of different optimizers in the variational quantum algorithms for applications in quantum chemistry

Water | 15 | 1567

Raghav Mundhra, Rajaram Lakkaraju, Prasanta Kumar Das, Maksim A. Pakhomov, Pavel D. Lobanov

Effect of Wall Proximity and Surface Tension on a Single Bubble Rising near a Vertical Wall

Green Chemistry | 25 | 9374-9387

Dibyajyoti Panja, Sadhan Dey, Rohini Saha, Rajib Sahu, Gourab Kanti Das, Preeti Bhobe, Sabuj Kundu

Co-SAC catalyzed utilization of methanol and ethanol in the transfer hydrogenation of azo bonds: experimental and theoretical studies

The Journal of Physical Chemistry C | 127 | 20823-20837

Dipak Prasad, Nilanjan Mitra, Kousik Deb

Hydrogen and Metal–Ligand Bonds in Swelling of Smectite Clay Minerals

Chemical Science | 14 | 9872-9884

Maniklal Shee, Dan Zhang, Moumita Banerjee, Samrat Roy, Bipul Pal, Anakuthil Anoop, Youyong Yuan, N. D. Pradeep Singh

Interrogating bioinspired ESIPT/PCET-based Ir( iii )-complexes as organelle-targeted phototherapeutics: a redox-catalysis under hypoxia to evoke synergistic ferroptosis/apoptosis

Proceedings of the Nineteenth International Conference on Artificial Intelligence and Law | 187-196

Shounak Paul, Arpan Mandal, Pawan Goyal, Saptarshi Ghosh

Pre-trained Language Models for the Legal Domain

Physical Review Fluids | 8

Prabir Kumar Kar, Ujjwal Chetan, Abhishek Kumar, P. K. Das, Rajaram Lakkaraju

Heat transport enhancement and flow transitions in partitioned thermal convection

Catalysis Science & Technology | 13 | 1558-1570

Bitan Pratihar, Animesh Jana, Souvik Biswas, Sirshendu De

Pd nanoparticles-decorated borophene nanosheets for intrinsic polarization-induced visible light photocatalysis

European Journal of Inorganic Chemistry | 26

Firdaus Rahaman Gayen, Debashree Bora, Dibyendu Mallick, Abir Sarbajna, Subrata Ghosh, Jayaramudu Jarugala, Biswajit Saha

Utility of a Ferrocene Unit in a Cyclometallated Cp*Ir(III) Catalyst during Water Oxidation: Exploring Bimetallic Cooperativity

ChemPhysChem | 24

Dibya Prakash Biswal, Dipankar Singha, Jagannath Panda, Malay Kumar Rana

Post‐Synthetic Modification of Zr‐based Metal‐Organic Frameworks with Imidazole: Variable Optical Behavior and Sensing

Materials Chemistry and Physics | 299 | 127531

Roshan Kumar Jha, Pallabi Bhuyan, Sumantra Mandal, Snehanshu Pal

Insights into the role of Nb segregation on grain boundary structural transition and mechanical response in a Ni–Nb system

Physical Chemistry Chemical Physics | 25 | 8209-8219

Pijush Karak, Torsha Moitra, Kenneth Ruud, Swapan Chakrabarti

Photophysics of uracil: an explicit time-dependent generating function-based method combining both nonadiabatic and spin–orbit coupling effects

physica status solidi (b) | 260

Anish Das, Pallab Banerji

Unusual Transport and Impact of Nonparabolic Electronic Band Structure on the Thermoelectric Performance in n‐Type In4Se3‐Based Thermoelectric Materials

Waves in Random and Complex Media | 36 | 6406-6422

Manas Kumar Padhan, Mira Mitra

Effect of grain size distribution of polycrystalline microstructure on in-plane wave propagation

Journal of Biomolecular Structure and Dynamics | 41 | 12363-12371

Shashi Kumar, Soumya Biswas, Parag A. Deshpande

Computational analysis of the effect of Gly100Ala mutation on the thermostability of SazCA

Computational Materials Science | 226 | 112211

Rakesh Kumar Barik, Sankalp Biswal, Amlan Dutta, Debalay Chakrabarti, Abhijit Ghosh

Effect of solute distribution on the screw dislocation motion in bcc Fe-based systems

Physics of Fluids | 35

Sanjay Shukla, Akhilesh Kumar Verma, Vishwanath Shukla, Akshay Bhatnagar, Rahul Pandit

Inertial particles in superfluid turbulence: Coflow and counterflow

The FEBS Journal | 290 | 3997-4022

Rashika Singh, Prasun Kundu, Vipin Kumar Mishra, Bina Kumari Singh, Sudipta Bhattacharyya, Amit Kumar Das

Crystal structure of FadA2 thiolase from Mycobacterium tuberculosis and prediction of its substrate specificity and membrane‐anchoring properties

Monthly Notices of the Royal Astronomical Society | 520 | 2094-2108

Kh Md Asif Elahi, Somnath Bharadwaj, Abhik Ghosh, Srijita Pal, Sk Saiyad Ali, Samir Choudhuri, Arnab Chakraborty, Abhirup Datta, Nirupam Roy, Madhurima Choudhury, Prasun Dutta

Towards 21-cm intensity mapping at z = 2.28 with uGMRT using the tapered gridded estimator – II. Cross-polarization power spectrum

Monthly Notices of the Royal Astronomical Society | 525 | 3439-3454

Kh Md Asif Elahi, Somnath Bharadwaj, Srijita Pal, Abhik Ghosh, Sk Saiyad Ali, Samir Choudhuri, Arnab Chakraborty, Abhirup Datta, Nirupam Roy, Madhurima Choudhury, Prasun Dutta

Towards 21-cm intensity mapping at z = 2.28 with uGMRT using the tapered gridded estimator – III. Foreground removal

Physical Chemistry Chemical Physics | 25 | 11789-11804

Subhadeep Banerjee, Ankita Narwal, Sandeep K Reddy, Sharma S. R. K. C. Yamijala

Promising anode materials for alkali metal ion batteries: a case study on cobalt anti-MXenes

Physical Review A | 107

Soumyadeep Halder, Subrata Das, Sonjoy Majumder

Two-dimensional miscible-immiscible supersolid and droplet crystal state in a homonuclear dipolar bosonic mixture

Theoretical Chemistry Accounts | 142

Shanti Gopal Patra, Himangshu Mondal, Manash Jyoti Bhattacharjya, Naina Chetia, Pratim Kumar Chattaraj

On the aromaticity of substituted benzene

Journal of Mathematical Chemistry | 61 | 1825-1841

Ruchi Jha, Shanti Gopal Patra, Himangshu Mondal, Pratim Kumar Chattaraj

Theoretical understanding of mechanochemical (ball-milling) synthesis of thioethers: a CDFT approach

BMC Microbiology | 23

Shakilur Rahman, Amit Kumar Das

Staphylococcal superantigen-like protein 10 enhances the amyloidogenic biofilm formation in Staphylococcus aureus

Physical Review A | 108

Arpana Saboo, Soumyadeep Halder, Subrata Das, Sonjoy Majumder

Rayleigh-Taylor instability in a phase-separated three-component Bose-Einstein condensate

Sensors and Actuators B: Chemical | 382 | 133511

Srijeet Tripathy, Avik Sett, Santanab Majumder, Tarun Kanti Bhattacharyya

Study of gate induced sensitivity amplification in carbon nanotube thin film transistor based ammonia sensor

Polyhedron | 243 | 116563

Arindam Ray, Nandagopal Bar, Pranesh Chowdhury, Debrupa Biswas, Keya Ghosh, Ashok Mandi, Gourab Kanti Das

Revaluation of copper(II)-Schiff base complex for sensing of d-penicillamine and development of a molecular logic gate: A combined approach

Advanced Theory and Simulations | 6

Swayam Prabha Misra, Parag A. Deshpande

Development and Assessment of Computational Models Detailing the Influence of Extra‐Framework Cations on the Local Structure, Stability and Structure‐Property Relationships in Geopolymers

ACS Applied Nano Materials | 6 | 8059-8070

Madhusudan Kr. Mahto, Dipanjan Samanta, Manisha Shaw, Md Abdus Salam Shaik, Rajarshi Basu, Imran Mondal, Angana Bhattacharya, Amita Pathak

Blue-Emissive Nitrogen-Doped Carbon Dots for Picric Acid Detection: Molecular Fluorescence Quenching Mechanism

Scientific Reports | 13

Shataneek Banerjee, Amardip Ghosh, Prasanta Pal

Enhancement of intra-cardiac flow-field data using adaptive Kernel filtering

Computational Materials Science | 229 | 112416

Manas Kumar Padhan, Akshay Rai, Mira Mitra

Prediction of grain size distribution in microstructure of polycrystalline materials using one dimensional convolutional neural network (1D-CNN)

AIAA AVIATION 2023 Forum

Singeetham Pranaykumar, Rajesh Kumar, Amardip Ghosh

Effect of Cavity Offset Ratio on the Combustion Characteristics of Strut-Cavity Flame Holder

Journal of Mathematical Chemistry | 61 | 1143-1164

Arpita Poddar, Ranita Pal, Chunying Rong, Pratim Kumar Chattaraj

A conceptual DFT and information-theoretic approach towards QSPR modeling in polychlorobiphenyls

Advanced Materials Technologies | 8

Bidya Mondal, Ranjini Sarkar, Dalip Saini, Varun Gupta, Tarun Kumar Kundu, Dipankar Mandal

All‐Electrospun, Water‐Resistant, Breathable, Wearable, and Stable Metal Halide Perovskite Engineered Electroactive Polymer Textiles for Flexible Piezoelectric Nanogenerator

Structures | 57 | 105326

Kumar Anjneya, Arghya Deb

Uncertainty propagation in discrete element models using PDEM

International Journal of Quantum Chemistry | 123

Jesús Sánchez‐Márquez, Himangshu Mondal, Shanti Gopal Patra, Alejandro Morales‐Bayuelo, Pratim Kumar Chattaraj

Local reactivity descriptors of the important atoms in chelotropic reactions provide insight into their global variants along the reaction path

Nanoscale | 15 | 19238-19254

Md. Abdus Salam Shaik, Dipanjan Samanta, Ankit Kumar Sharma, Manisha Shaw, Sayan Prodhan, Rajarshi Basu, Imran Mondal, Shailab Singh, Prasanta Kumar Dutta, Amita Pathak

White light emission from helically stacked humin-mimic based H-aggregates in heteroatom free carbon dots

Physical Review E | 108

Maheswar Maji, Karthik Subramaniam Eswaran, Sourangshu Ghosh, Kannabiran Seshasayanan, Vishwanath Shukla

Equivalence of nonequilibrium ensembles: Two-dimensional turbulence with a dual cascade

Climate Dynamics | 61 | 5349-5366

Amarjeet, Vineet Sharma, Chhavi Pant Pandey, Anil Kumar Gupta, Arun Chakraborty

Study of moisture flux over Uttarakhand State: signature of cloud bursts

AIAA SCITECH 2023 Forum

Singeetham Pranaykumar, Ch. Narendra Kumar, Akshay Prakash

A Comparative Study of Strut Flame Holders for Scramjet Combustor Using OpenFOAM

International Journal of Environment and Climate Change | 13 | 1530-1544

Sajal Saha, Deepa Bhadana, Rinkey Arya, Pankaj Kumar Shah, Nishtha, Pravesh Kumar

An Overview of Bioinformatics and Computational Genomics in Modern Plant Science

Structural Safety | 102 | 102323

Bapi Mondal, Damodar Maity, Puneet Kumar Patra

Load and resistance factor design for bamboo reinforced concrete beam in ultimate flexural limit state

Journal of Applied Physics | 134

Naveen Kumar, Abhirup Chaudhuri, Vinay Arya, Chirodeep Bakli, Chandan Bera

Significantly reduced thermal conductivity and enhanced thermoelectric performance of twisted bilayer graphene

Magnetochemistry | 9 | 154

Debpriyo Goswami, Shanti Gopal Patra, Debashis Ray

Magneto-Structural Analysis of Hydroxido-Bridged CuII2 Complexes: Density Functional Theory and Other Treatments

Physical Chemistry Chemical Physics | 25 | 20462-20472

P. Pavan Kumar, Asutosh Agrawal, Debasis Nayak, Koushik Biswas, Sudipto Ghosh, Tarun Kumar Kundu

A comprehensive diffusion-induced stress coupled multiscale modeling and analysis in hard-carbon electrodes of Li-ion batteries

ChemistrySelect | 8

Avijit Sahoo, Gourav Das, Nishant Kumar Choudhary, S. Harikrishna, Kiran R. Gore

Synthesis and Structural Analysis of N 3 ‐Methyluridine and 2’‐Alkoxy/Fluoro‐ N 3 ‐Methyluridine Nucleosides by Using NMR Spectroscopy, X‐Ray Crystallography, and Computational Methods

Theoretical Chemistry Accounts | 142

Ranita Pal, Gourhari Jana, Pratim Kumar Chattaraj

Structure and stability of a new set of noble gas insertion compounds, XNgOPO(OH)2 (X = F, Cl, Br; Ng = Kr, Xe, Rn): an in silico investigation

Physical Review E | 108

Ankit Gupta, P. S. Burada

Separation of interacting active particles in an asymmetric channel

Inorganic Chemistry | 62 | 12989-13000

Rupam Sahoo, Supriya Mondal, Santanu Chand, Madhab C. Das

Highly Robust Metal–Organic Framework for Efficiently Catalyzing Knoevenagel Condensation and the Strecker Reaction under Solvent-Free Conditions

Physical Review Letters | 131

Sudipto Das, Sahana Das, Sudhansu S. Mandal

Anomalous Reentrant 5/2 Quantum Hall Phase at Moderate Landau-Level-Mixing Strength

Physical Review Letters | 131

Vikash Pandey, Dhrubaditya Mitra, Prasad Perlekar

Kolmogorov Turbulence Coexists with Pseudo-Turbulence in Buoyancy-Driven Bubbly Flows

ACS Applied Polymer Materials | 5 | 2097-2104

Soujanya H. Goudar, Dhiraj S. Ingle, Rahul Sahu, Srinu Kotha, Sandeep K. Reddy, Deepu J. Babu, Venkata Rao Kotagiri

Perylene Diimide-Containing Dynamic Hyper-crosslinked Ionic Porous Organic Polymers: Modulation of Assembly and Gas Storage

Angewandte Chemie | 135

Haripriyo Mondal, Subimal Patra, Shuvendu Saha, Tarak Nayak, Uddalak Sengupta, Modhu Sudan Maji

Late‐Stage Halogenation of Peptides, Drugs and (Hetero)aromatic Compounds with a Nucleophilic Hydrazide Catalyst

Physical Review A | 107

Renu Yadav, Patrick Sebbah, Maruthi M. Brundavanam, Shivakiran Bhaktha B. N.

Tracking nanoscale perturbation in active disordered media

Angewandte Chemie International Edition | 62

Md Raja Sk, Arya Bhattacharyya, Shuvendu Saha, Arpita Brahma, Modhu Sudan Maji

Annulative π‐Extension by Rhodium(III)‐Catalyzed Ketone‐Directed C−H Activation: Rapid Access to Pyrenes and Related Polycyclic Aromatic Hydrocarbons (PAHs)

Protein Science | 32

Soumendu Boral, Srijon Sen, Tushar Kushwaha, Krishna K. Inampudi, Soumya De

Extein residues regulate the catalytic function of Spl DnaX intein enzyme by restricting the near‐attack conformations of the active‐site residues

Encyclopedia of Condensed Matter Physics | 539-552

Jakob Yngvason

Quantum Hall states in higher Landau levels

Lecture Notes in Mechanical Engineering | 275-282

Amit Ashok Pawar, Kumar Sanat Ranjan, Arnab Roy, Sandeep Saha

High-Speed Schlieren Imaging as a Tool for Identifying Vortices in Dragonfly Flight

Communications in Computer and Information Science | 205-215

Preeti Jha, Aruna Tiwari, Neha Bharill, Milind Ratnaparkhe, Om Prakash Patel, Sawarkar Saloni, Namani Sreeharsh

HPC Based Scalable Logarithmic Kernelized Fuzzy Clustering Algorithms for Handling Big Data

Lecture Notes in Civil Engineering | 399-411

Mohd Imran Khan, Rajib Maity

Multi-step Ahead Forecasting of Streamflow Using Deep Learning-Based LSTM Approach

International Journal of Biological Macromolecules | 256 | 128437

Shakilur Rahman, Saradindu Saha, Somdeb Bose Dasgupta, Amit Kumar Das

Putative staphylococcal enterotoxin possesses two common structural motifs for MHC-II binding

Journal of Thermal Science and Engineering Applications | 16

Deepa Gupta, Probir Saha, Somnath Roy

Multi-Objective Optimization of Air-Cooled Perforated Micro-Pin Fin Heat Sink Via an Artificial Neural Network Surrogate Model Coupled With NSGA-II

Comprehensive Computational Chemistry | 258-279

Pijush Karak, Torsha Moitra, Swapan Chakrabarti

Relativistic Effects on Photodynamical Processes

Inorganic Chemistry | 63 | 739-751

Chhotan Mandal, Shalini Joshi, Sanjay Das, Sabyashachi Mishra, Debabrata Mukherjee

2-Anilidomethylpyridine-Derived Three-Coordinate Zinc Hydride: The Journey Unveils Anilide Backbone’s Reactive Nature

Future Virology | 18 | 87-106

Dhrubajyoti Mahata, Debangshu Mukherjee, Kheerthana Duraivelan, Vanshika Malviya, Pratap Parida, Gayatri Mukherjee

Targeting ‘Immunogenic Hotspots’ in Dengue and Zika Virus: An in Silico Approach to a Common Vaccine Candidate

Molecular Physics

Ruchi Jha, Pratim Kumar Chattaraj

Effect of confinement and external mechanical force on the cleavage of the bond in a diatomic molecule

Journal of Biomolecular Structure and Dynamics | 41 | 13098-13112

Shakilur Rahman, Kasturi Sarkar, Amit Kumar Das

Exploring staphylococcal superantigens to design a potential multi-epitope vaccine against Staphylococcus aureus : an in-silico reverse vaccinology approach

2023 IEEE International Conference on Quantum Computing and Engineering (QCE) | 1078-1088

Rohit Sarma Sarkar, Bibhas Adhikari

Scalable Quantum Circuits for N-Qubit Unitary Matrices

2022 IEEE Symposium Series on Computational Intelligence (SSCI) | 1400-1407

Preeti Jha, Aruna Tiwari, Neha Bharill, Milind Ratnaparkhe, Om Prakash Patel, Rapolu Pulakitha, Aditi Chauhan

High-Performance Computing based Scalable Online Fuzzy Clustering Algorithms for Big Data

Journal of Hydrologic Engineering | 29

Saumava Dey, Anirban Dhar

Applicability of Zero-Inertia Approximation for Overland Flow Using a Generalized Mass-Conservative Implicit Finite Volume Framework

Glycobiology | 34

Gourab Bhattacharje, Amit Ghosh, Amit Kumar Das

Deciphering the mannose transfer mechanism of mycobacterial PimE by molecular dynamics simulations

Journal of Biomolecular Structure and Dynamics | 43 | 127-143

Rituparna Saha, Gourab Bhattacharje, Soumya De, Amit Kumar Das

Deciphering the conformational stability of MazE7 antitoxin in Mycobacterium tuberculosis from molecular dynamics simulation study

Current Indian Science | 1

Gourab Kanti Das, Rohini Saha, Saptarshi Saha

Theoretical Investigation on the Mechanistic Pathways of Cp*Cobalt(III)-Catalyzed Transformation of N-Substituted Carbamoyl Indoles toPyrroloindolone Derivatives

Journal of Biomolecular Structure and Dynamics | 41 | 6394-6412

Megha P. Nambiar, N. Ashwanikumar, Anakuthil Anoop, A. R. Biju

Binding energy analysis and molecular dynamic simulation studies of the designed orally active, non-toxic GABARAP modulators

Physical Chemistry Chemical Physics | 25 | 3472-3484

Shashi Kumar, N. N. Subrahmanyeswara Rao, K. S. S. V. Prasad Reddy, Manjusha C. Padole, Parag A. Deshpande

Enzyme–substrate interactions in orotate-mimetic OPRT inhibitor complexes: a QM/MM analysis

Annalen der Physik | 535

Sk Noor Nabi

Interplay of the Staggered and Three‐Body Interaction Potentials on the Quantum Phases of a Spin‐1 Ultracold Atom in an Optical Lattice

Journal of Engineering for Gas Turbines and Power | 145

Sridhar Sahoo, Dhananjay Kumar Srivastava

Experimental Study of Effect of Injection Timing on Port Fuel Injection Gasoline, Port Fuel Injection Compressed Natural Gas, and Direct Injection Compressed Natural Gas Engine Performance, Combustion, and Emissions Characteristics

Journal of Energy Resources Technology | 145

Balram Sahu, Dhananjay Kumar Srivastava

A Numerical Study on Spray Combustion and Emissions Characteristics of n-Heptane, Dimethyl Ether, and Their Blends in a Constant Volume Combustion Chamber

Environmental Science and Pollution Research | 30 | 24963-24974

Baby Nitin, Pavitra Sandilya, Goutam Chakraborty

Optimal design of a helical coil support for dewars in fuel cell applications

Journal of Biomolecular Structure and Dynamics | 41 | 6001-6010

Shashi Kumar, Parag A. Deshpande

Efficient proton shuttle makes SazCA an excellent CO2 hydration enzyme

ChemPhysChem | 24

Shikha Prakash, Anjali Krishna, Durba Sengupta

Cofilin‐Membrane Interactions: Electrostatic Effects in Phosphoinositide Lipid Binding

International Journal of Quantum Chemistry | 123

Arpita Poddar, C. N. Ramachandran, Pratim Kumar Chattaraj

Behavior of HF and (HF)2 inside a fullerene cage: An in silico study using different density functionals

Journal of Aircraft | 60 | 594-605

Bikalpa Bomjan Gurung, Sandeep Saha

Aerodynamic Efficiency Enhancement of Delta Wings for Micro Air Vehicles Using Shape-Optimization

Journal of Physical Organic Chemistry | 36

Shanti Gopal Patra, Ruchi Jha, Himangshu Mondal, Pratim Kumar Chattaraj

Fischer and Schrock carbene complexes in the light of global and local electrophilicity‐based descriptors

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 285 | 121887

Nishant Kumar Choudhary, Lavanya L. Mittapelli, Pritam Kumar Roy, Gourav Das, Mahitosh Mandal, Kiran R. Gore

Vinyl substituted triphenylamine based turn-off fluorescent probe for selective and sensitive detection of mercury (II) in water and live cells

Physics of Fluids | 34

Prabir Kumar Kar, Ujjwal Chetan, Jagannath Mahato, Toshan Lal Sahu, P. K. Das, Rajaram Lakkaraju

Heat flux enhancement by regular surface protrusion in partitioned thermal convection

ACS Omega | 7 | 30149-30160

Tarun Roy, Venkatesan S. Thimmakondu, Subhas Ghosal

New Carbenes and Cyclic Allenes Energetically Comparable to Experimentally Known 1-Azulenylcarbene

Frontiers in Physics | 10

Tarun Roy, Sayon Satpati, Venkatesan S. Thimmakondu, Subhas Ghosal

Theoretical Investigation on C11H8 Bicyclic Carbene and Allene Isomers

The Journal of Chemical Physics | 156

Kishan Kumar Dakua, Karunamoy Rajak, Sabyashachi Mishra

Spin–vibronic coupling in the quantum dynamics of a Fe(III) trigonal-bipyramidal complex

Materials Advances | 3 | 5497-5509

Amit Sil, Utsav Ghosh, Suman Dolai, Soumitra Manna, Apurba Maity, Sanjib K. Patra

Design and synthesis of a push–pull arylene–vinylene terpyridyl conjugate: multifunctional behaviors exhibited by a single molecule

ChemPhysChem | 23

Sanjukta Parida, Sanjib K. Patra, Sabyashachi Mishra

Self‐Assembling Behaviour of Perylene, Perylene Diimide, and Thionated Perylene Diimide Deciphered through Non‐Covalent Interactions

Molecular Physics | 120

Prasenjit Das, Pratim Kumar Chattaraj

Stabilisation of Li(0)-Li(0) bond by normal and mesoionic carbenes and electride characteristics of the complexes

Journal of Molecular Graphics and Modelling | 115 | 108215

Shakilur Rahman, Karunamoy Rajak, Sabyashachi Mishra, Amit Kumar Das

Identification of potential inhibitors against FemX of Staphylococcus aureus: A hierarchial in-silico drug repurposing approach

ACS Applied Materials & Interfaces | 14 | 26714-26723

Subhankar Mandal, Rudra N. Samajdar, Sanjukta Parida, Sabyashachi Mishra, Aninda J. Bhattacharyya

Transition Metal Phthalocyanines as Redox Mediators in Li–O2 Batteries: A Combined Experimental and Theoretical Study of the Influence of 3d Electrons in Redox Mediation

ChemistrySelect | 7

Amit Sil, Sourav Saha Roy, Vipin Kumar Mishra, Sk Najmul Islam, Sabyashachi Mishra, Sanjib K. Patra

Modulation of Electrochemical and Spectroscopic Properties in Ru(II)‐Terpyridyl End‐Capped Homobimetallic Organometallic Complexes by Varying π‐Conjugated Organic Spacers

Structural Chemistry | 33 | 1853-1865

Himangshu Mondal, Shanti Gopal Patra, Pratim Kumar Chattaraj

Small molecule activation and dehydrogenation of an amine–borane system using frustrated Lewis pairs

Computers in Biology and Medicine | 145 | 105404

Payel Banik, Ranabir Majumder, Anik Mandal, Sanjib Dey, Mahitosh Mandal

A computational study to assess the polymorphic landscape of matrix metalloproteinase 3 promoter and its effects on transcriptional activity

Organic & Biomolecular Chemistry | 20 | 9703-9721

Poulami Pal, Gourab Kanti Das

Mechanistic insight highlights the key steps and significance of metal in Ir( iii )-catalysed C–H activated chromones generation

International Journal of Thermal Sciences | 179 | 107695

Upasana Priyadarshani Padhi, Ratan Joarder

Flow-field alternation and wave drag reduction under repetitive laser energy deposition

Theoretical and Applied Climatology | 149 | 945-963

Mohd Imran Khan, Rajib Maity

Hybrid deep learning approach for multi-step-ahead prediction for daily maximum temperature and heatwaves

Matter | 5 | 2975-2989

Teng Cui, Sankha Mukherjee, Momoko Onodera, Guorui Wang, Boran Kumral, Akibul Islam, Moein Shayegannia, Gopi Krishnan, Nima Barri, Peter Serles, Xiang Zhang, Lucas M. Sassi, Jason Tam, Nabil Bassim, Nazir P. Kherani, Pulickel M. Ajayan, Tomoki Machida, Chandra Veer Singh, Yu Sun, Tobin Filleter

Mechanical reliability of monolayer MoS2 and WSe2

Physics of Fluids | 34

Toshan Lal Sahu, Ujjwal Chetan, Jagannath Mahato, Prabir Kumar Kar, Prasanta Kumar Das, Rajaram Lakkaraju

Formation and breakup of twisting ligaments in a viscous swirling liquid jet

The Journal of Chemical Physics | 157

Pijush Karak, Kenneth Ruud, Swapan Chakrabarti

Spin-vibronic interaction induced reverse intersystem crossing: A case study with TXO-TPA and TXO-PhCz molecules

Molecular Catalysis | 522 | 112190

Phanikumar Pentyala, Vibhuti Singhania, Vinay Kumar Duggineni, Parag A. Deshpande

Machine learning-assisted DFT reveals key descriptors governing the vacancy formation energy in Pd-substituted multicomponent ceria

Applied Surface Science | 605 | 154721

Snigdha Dey, Saroj Kumari, Parag A. Deshpande

A DFT analysis unravelling hydrogen sorption pathways in Laves phase Cu2Cd

New Journal of Chemistry | 46 | 8284-8302

Nandagopal Bar, Pranesh Chowdhury, Debrupa Biswas, Arindam Ray, Gourab Kanti Das

Synthesis of an advanced metal-guided photochromic system for molecular keypad lock: detailed experimental findings and theoretical understanding

The Journal of Physical Chemistry C | 126 | 11265-11276

Dipak Prasad, Nilanjan Mitra

Surface Reactivity of Cementitious Crystals Alite and Belite

Chemical Communications | 58 | 8492-8495

Hemonta Kumar Saha, Dibyendu Mallick, Soumyajit Das

Unveiling two antiaromatic s -indacenodicarbazole isomers with tunable paratropicity

ACS Omega | 7 | 19288-19304

Gourab Bhattacharje, Amit Ghosh, Amit Kumar Das

Understanding the Mannose Transfer Mechanism of Mycobacterial Phosphatidyl-myo-inositol Mannosyltransferase A from Molecular Dynamics Simulations

Physical Review B | 105

Yogeshwar Prasad, Arti Garg

Initial state dependent dynamics across the many-body localization transition

Journal of Chemical Sciences | 134

Himangshu Mondal, Shanti Gopal Patra, Pratim Kumar Chattaraj

Unveiling novel reactivity of P/Al frustrated Lewis pair: ring size-dependent activation of cyclic ethers/thioethers and CO2 insertion therein

Energy and AI | 10 | 100203

Roshan Kumar, Trina Dhara, Han Hu, Monojit Chakraborty

Visualization-based prediction of dendritic copper growth in electrochemical cells using convolutional long short-term memory

Journal of Astrophysics and Astronomy | 43

Abinash Kumar Shaw, Manoj Jagannath, Aishrila Mazumder, Arnab Chakraborty, Narendra Nath Patra, Rajesh Mondal, Samir Choudhuri

Detecting galaxies in a large H i spectral cube

Physical Chemistry Chemical Physics | 24 | 21308-21320

Dipak Prasad, Nilanjan Mitra

Silica dimerization in the presence of divalent cations

Molecular Catalysis | 521 | 112205

K.S.S.V. Prasad Reddy, Parag A. Deshpande

DFT reveals the support effects in Pd nanoclusters over defect-ridden graphene for the oxidative addition of bromobenzene

Sustainable Energy & Fuels | 6 | 1625-1640

Hari Krishna Mishra, Dipanjan Sengupta, Anand Babu, Bilal Masood Pirzada, Ranjini Sarkar, Boddu S. Naidu, Tarun Kumar Kundu, Dipankar Mandal

PVDF/Ag 2 CO 3 nanocomposites for efficient dye degradation and flexible piezoelectric mechanical energy harvester

The Chemical Record | 22

Gourav Das, S. Harikrishna, Kiran R. Gore

Influence of Sugar Modifications on the Nucleoside Conformation and Oligonucleotide Stability: A Critical Review

Journal of Chemical Sciences | 134

Manas Ghara, Santanab Giri, Prasenjit Das, Pratim Kumar Chattaraj

Possible C-F bond activation by B(C6F5)3/lutidine and Al(C6F5)3/lutidine frustrated Lewis pair: an in silico study

The Journal of Physical Chemistry B | 126 | 1413-1425

Tanmoy Kumar Paul, Srabani Taraphder

Nonlinear Reaction Coordinate of an Enzyme Catalyzed Proton Transfer Reaction

Physics of Fluids | 34

Vijay Kag, Kannabiran Seshasayanan, Venkatesh Gopinath

Physics-informed data based neural networks for two-dimensional turbulence

Physical Review E | 106

Rohit Kishan Ray

Steepest entropy ascent solution for a continuous-time quantum walker

SSRN Electronic Journal

Nilanjan Roy, Sandip K. Kuila, Amit Mondal, Ritobroto Sikdar, Harshit -, Sivaprasad Ghanta, Fei Wang, Partha Pratim Jana

Crystal Structure, Electronic Structure and Phase Stability of the Cu2-Xmxcd (M=Zn, Ga, Ge, Sn) Pseudo-Binary Laves Phases: Effect of Valence Electron Concentration

Chemical Communications | 58 | 2754-2757

Mamata Ojha, Moumita Banerjee, Souvik Ray, Amit Kumar Singh, Anakuthil Anoop, N. D. Pradeep Singh

Switching photorelease to singlet oxygen generation by oxygen functionalization of phenothiazine photocages

Physical Review A | 106

Subrata Das, Koushik Mukherjee, Sonjoy Majumder

Vortex formation and quantum turbulence with rotating paddle potentials in a two-dimensional binary Bose-Einstein condensate

Zeitschrift für Kristallographie - Crystalline Materials | 237 | 233-238

Nilanjan Roy, Biplab Koley, Harshit, Partha P. Jana

Formation and stability of Rh2Cd5 and its strucural correlation with RhCd and Rh3Cd5−δ (δ ∼ 0.56)

Zeitschrift für anorganische und allgemeine Chemie | 648

Nilanjan Roy, Harshit, Amit Mondal, Fei Wang, Partha P. Jana

Structural and Theoretical Investigations on the Unique Coloring Scheme of the γ‐Brass Type Phase: Cu5+δCd8‐δ(−1.0≤δ≤0.1)

Journal of Geophysical Research: Atmospheres | 127

Subharthi Sarkar, Rajib Maity

Future Characteristics of Extreme Precipitation Indicate the Dominance of Frequency Over Intensity: A Multi‐Model Assessment From CMIP6 Across India

Physical Review B | 106

Shubham Patel, Urmimala Dey, Narayan Prasad Adhikari, A. Taraphder

Electric field and strain-induced band-gap engineering and manipulation of the Rashba spin splitting in Janus van der Waals heterostructures

Biochemical and Biophysical Research Communications | 621 | 14-19

Gourab Bhattacharje, Amit Ghosh, Amit Kumar Das

In-silico identification of critical residues in the mannose-transfer mechanism of phosphatidyl-myo-inositol mannosyltransferase B′

ChemistrySelect | 7

Mullicka Mandal, Indrajit Karmakar, Kuheli Chakrabarty, Gourab Kanti Das, Goutam Brahmachari

Metal‐Free Sequential Amidation and Intramolecular C sp2 −H Direct Amination of Coumarin‐3‐carboxylic Acids under Ambient Conditions: Scope and Mechanistic Insights

Polymer Chemistry | 13 | 3284-3293

Subhendu Samanta, Dibyendu Mallick, Raj Kumar Roy

Folding of aromatic polyamides into a rare intrachain β-sheet type structure and further reinforcement of the secondary structure through host–guest interactions

Monthly Notices of the Royal Astronomical Society | 516 | 2851-2863

Srijita Pal, Kh Md Asif Elahi, Somnath Bharadwaj, Sk Saiyad Ali, Samir Choudhuri, Abhik Ghosh, Arnab Chakraborty, Abhirup Datta, Nirupam Roy, Madhurima Choudhury, Prasun Dutta

Towards 21-cm intensity mapping at z = 2.28 with uGMRT using the tapered gridded estimator I: Foreground avoidance

The Journal of Physical Chemistry A | 126 | 4834-4847

Bhrigu Chakraborty, Ruchi Jha, Susmita Kar, Pratim Kumar Chattaraj

Controlling Tunneling Oscillation and Quantum Localization in an Asymmetric Double-Well Potential: A Bohmian Perspective

Signal, Image and Video Processing | 16 | 1869-1875

Amritha Abdul Salam, Manjunatha Mahadevappa, Asha Das, Madhu S. Nair

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European Journal of Inorganic Chemistry | 2022

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Selective Chemical Substitution of Cu in the Structure of TiAl3 Type InPd3: Experimental and Theoretical Studies

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Multi-Objective Optimization of the Perforated Micro Pin-Fin Heat Sink Using Non-Dominated Sorting Genetic Algorithm-II Coupled With Computational Fluid Dynamics Simulation

ACS Applied Electronic Materials | 4 | 3825-3833

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Adsorption-Mediated n-Type ZnO Surface Reconstruction for Optically Enhanced Volatile Organic Compound Sensing

Journal of Chemical Sciences | 134

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Can a chemical bond be exclusively covalent or ionic?

Aerospace and Associated Technology | 40-44

V.R.P. Gangadhar, Sunil Manohar Dash, Jit Sinha, K. P. Sinhamahapatra

A numerical study on the negative lift and point of non-linearity in lift curve of NACA 0012 airfoil at low number

The Journal of Physical Chemistry A | 126 | 6801-6813

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On the Periodicity of the Information Theory and Conceptual DFT-Based Reactivity Descriptors

Physical Review B | 105

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From the Gaffnian critical point to the incompressible 2/5 quantum Hall state

Journal of Structural Biology | 214 | 107877

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Chemistry – An Asian Journal | 17

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Cooperative Supramolecular Polymerization Guided by Dispersive Interactions

ACS Catalysis | 12 | 11660-11666

Suman Ghosh, Rajesh Chakrabortty, Shailendra Kumar, Aniruddha Das, Venkataraman Ganesh

Copper-Catalyzed Protoboration of 1,3-Diynes as a Platform for Iterative Functionalization

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Shuvendu Saha, Modhu Sudan Maji

Cp*Co( iii )-catalyzed thiocarbamate-directed C–H aminocarbonylation, amination, and cascade annulation of pyrroles

Molecules | 27 | 8683

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Can the Fluxionality in Borospherene Influence the Confinement-Induced Bonding between Two Noble Gas Atoms?

Physical Review Fluids | 7

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Performance analysis of different distribution of Python and TensorFlow to efficiently utilize CPU on HPC Cluster

IEEE Transactions on Knowledge and Data Engineering | 1-12

Tanusree Parbat, Ayantika Chatterjee

Authorized Update in Multi-user Homomorphic Encrypted Cloud Database

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7,7-bis(N, N-diethylethylenediamino)-8,8-dicyanoquinodimethane: Effect of Ethyl Moiety on the Photophysical Property besides Thermal Stability

International Journal of Quantum Chemistry | 122

Arpita Poddar, Pratim Kumar Chattaraj

Li4EPc: A metallo‐organic electride comprising metal‐nitrogen bonds

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Pomegranate peel polyphenols prophylaxis against SARS-CoV-2 main protease by in-silico docking and molecular dynamics study

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On Offset Placement of a Compound Droplet in a Channel Flow

Monthly Notices of the Royal Astronomical Society: Letters | 513 | L1-L5

Siddhartha Bhattacharyya, Himanshu Tiwari, Somnath Bharadwaj, Suman Majumdar

A maximum-likelihood estimate of the parameters of the fast radio burst population

Physica B: Condensed Matter | 627 | 413547

Deepak Kumar Gorai, Tarun Kumar Kundu

Platinum-silicon doped graphitic carbon nitride: A first principle calculation

Journal of Fluid Mechanics | 930

Arghyanir Giri, Neelakash Biswas, Danielle L. Chase, Nan Xue, Manouk Abkarian, Simon Mendez, Sandeep Saha, Howard A. Stone

Colliding respiratory jets as a mechanism of air exchange and pathogen transport during conversations

Journal of Organometallic Chemistry | 957 | 122179

Anirban Mukherjee, Ritesh Singh, Kishor D Mane, Gourab Kanti Das

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Journal of Organometallic Chemistry | 937 | 121744

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Md. Irshad Alam, Apurva Raj, Piru Mohan Khan, Subrata Kumar, Somnath Roy

Numerical simulation of flow of a shear-thinning Carreau fluid over a transversely oscillating cylinder

JBIC Journal of Biological Inorganic Chemistry | 26 | 569-582

Atanuka Paul, Sabyashachi Mishra

Metal–ion promiscuity of microbial enzyme DapE at its second metal-binding site

Dalton Transactions | 50 | 8036-8044

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Bifurcations of a plane parallel flow with Kolmogorov forcing

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Hydrogen storage properties of hexagonal C14 Laves phase Cu2Cd: A DFT study

Journal of Cosmology and Astroparticle Physics | 2021 | 024

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A fast estimator for quantifying the shape dependence of the 3D bispectrum

Journal of Photochemistry and Photobiology A: Chemistry | 420 | 113505

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The Epoch of Reionization 21-cm bispectrum: the impact of light-cone effects and detectability

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Unconventional filling factor of 4/11: A closed-form ground-state wave function

The Journal of Physical Chemistry A | 125 | 10514-10523

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XNgNSi (X = HCC, F; Ng = Kr, Xe, Rn): A New Class of Metastable Insertion Compounds Containing Ng–C/F and Ng–N Bonds and Possible Isomerization therein

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Satabdi Bera, Saikat Roy, Shyam Chand Pal, Anakuthil Anoop, Rajarshi Samanta

Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach

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