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    Publications

    2025

    1. Biswas, Debrupa, Chowdhury, Pranesh, Bar, Nandagopal and Das,Gourab Kanti, Experimental and theoretical studies of the optical properties of apyrene dye-attached polymer for the development of thermal and chemicalsensors, JOURNAL OF LUMINESCENCE 280, 2025 [doi]
    2. Choudhary, Nishant Kumar, Sharma, Swrajit Nath, Das, Gourav andGhosh, Atanu, Bagale, Siddharam Shivappa, Sinha, Surajit and Gore,Kiran R, Enhanced g-quadruplex stability and anticancer activity of n2-aryl deoxyguanosine-modified t40214 oligonucleotidestargeting stat3 in prostate cancer, BIOCHEMISTRY 64, 3203-3218, 2025 [doi]
    3. Kuila, Sandip Kumar, Pramanik, Parna, Roy, Nilanjan, Buxi,Krishnendu, Bera, Anup Kumar and Jana, Partha Pratim, Unprecedented site preference of sn in the structure of cosn-typeniin1-x sn x (x < 0.7), INORGANIC CHEMISTRY 64, 1798-1807, 2025 [doi]
    4. Saha, Rituparna, Bhattacharje, Gourab, De, Soumya and Das, AmitKumar, Deciphering the conformational stability of maze7 antitoxin inmycobacterium tuberculosis from molecular dynamics simulationstudy, JOURNAL OF BIOMOLECULAR STRUCTURE \& DYNAMICS 43, 127-143, 2025 [doi]
    5. Verma, Shipra and Seshasayanan, Kannabiran, Effects of radial conductivity variation on the ponomarenko dynamo, PHYSICAL REVIEW E 111, 2025 [doi]
    6. Ojha, Mamata, Trivedi, Pragya, Banerjee, Moumita, Bera,Malabika, Dey, Susmita, Singh, Amit Kumar and Jana, Avijit andSingh, N D Pradeep, A near infrared light activated phenothiazine based cancer cell specificphototherapeutic system: a synergistic approach to chemo-photothermaltherapy, BIOMATERIALS SCIENCE 13, 1818-1830, 2025 [doi]
    7. Sar, Santanu, Gupta, Shalini, Das, Gourav, Sharma, Swrajit Nathand Deepak, K , Ghosh, Atanu, Bagale, Siddharam Shivappa andGangopadhyay, Sumit, Sinha, Surajit and Gore, Kiran R, 4′-c-cholesterol/pyridyl-2′-o-methyluridine-functionalized sirna enhances stability and carrier-free genesilencing, BIOCONJUGATE CHEMISTRY 36, 1234-1246, 2025 [doi]
    8. Mahto, Lokeshwar, Chakraborty, Jayanta, Kumar, Jitendra andTripathi, Anurag, Sen, Maitraye and Ketterhagen, William, Decoupling calibration and coarse-graining: quest for a generalizedparameter set for dem simulation of pharmaceutical powder, POWDER TECHNOLOGY 457, 2025 [doi]
    9. Gupta, Deepa, Saha, Probir and Roy, Somnath, Enhancement of thermo-hydraulic performance in mpf heat sink throughperforations fabricated using micro-edm drilling, INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER 169, 2025 [doi]
    10. Mondal, Sumana, Sarkar, Subham, Mandal, Chhotan, Mallick,Dibyendu and Mukherjee, Debabrata, A digermylene (lgei-geil) on an n-heterocycliccarbene-fluorenyl hybrid ligand (l) and its oxidation by tempo andph2e2 (e = s, se), DALTON TRANSACTIONS 54, 16006-16013, 2025 [doi]
    11. Singha, Dipankar, Panda, Jagannath and Rana, Malay Kumar, Unleashing the potential of a zr-mof for selective amine and iminesynthesis: an efficient heterogeneous catalyst, ACS APPLIED MATERIALS \& INTERFACES 17, 33834-33845, 2025 [doi]
    12. Anjneya, Kumar and Deb, Arghya, Effect of material fabric on gravity flow in fresh concrete, INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES 316, 2025 [doi]
    13. Anjneya, Kumar and Deb, Arghya, A meso-structure based yield stress for fresh concrete, INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES 288, 2025 [doi]
    14. Singh, Abhinav and Ghosh, Indranil, Numerical investigations of a single loop pulsating heat pipe forcryogenic applications, ASME JOURNAL OF HEAT AND MASS TRANSFER 147, 2025 [doi]
    15. Goswami, Santu, Sarkar, Subham, Guha Roy, Anisha, Mallick,Dibyendu and Mukherjee, Debabrata, A tridentate and dianionic n-heterocyclic olefin (nho) with twounsymmetrically-tethered aryloxide sidearms on bismuth: a fortuitousfollowed by systematic discovery, DALTON TRANSACTIONS 54, 8142-8151, 2025 [doi]
    16. Subramanian, Manasvini and Sengupta, Neelanjana, Fractal-like self-assembly in citrate synthase: delineating growthpatterns with coarse-grained simulations, JOURNAL OF PHYSICAL CHEMISTRY B 129, 11197-11204, 2025 [doi]
    17. Nambiar, Megha P , Anoop, Anakuthil and Biju, A R, Exploring the therapeutic potential of zonisamide derivatives throughmolecular docking and dynamic studies with gabarap, INDIAN JOURNAL OF BIOCHEMISTRY \& BIOPHYSICS 62, 786-797, 2025 [doi]
    18. Singha, Dipankar, Mohapatra, Debansh and Rana, Malay Kumar, Investigation of metal-organic frameworks and fluorocarbon refrigerantspromising for adsorption cooling systems, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 27, 2025 [doi]
    19. Baguli, Sudip, Sarkar, Subham, Mallick, Dibyendu and Mukherjee,Debabrata, Frustrated lewis pair (flp)-like (cyclo)addition of small organicmolecules to a stable azomethine ylide, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64, 2025 [doi]
    20. Bhavsar, Hardikkumar and Mistry, Chetan S, Implementation of flow control methods for design of connecting duct ofannular sector cascade tunnel, JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THEASME 147, 2025 [doi]
    21. Hasan, Amir, Biswal, Sankalp, Chakrabarti, Debalay and Paliwal,Manas, First-principles investigation of alloying effects on stacking faultenergies and lattice constants of γ{''}-ni3nb: a comprehensive study, SCRIPTA MATERIALIA 262, 2025 [doi]
    22. Jha, Roshan Kumar, Kumar, Ranjeet and Mandal, Sumantra, Role of site-specific solute segregation and structural transition ongrain boundary diffusion in ni-nb alloy, JOURNAL OF APPLIED PHYSICS 137, 2025 [doi]
    23. Mandal, Chhotan, Sarkar, Subham, Mukhopadhyay, Narottam andMallick, Dibyendu and Mukherjee, Debabrata, [}9-\{2-(dimethylamino)ethyl\}fluorenyl] as a ligand on magnesium leadsto a thf ring-opening by the fluorenyl moiety, INORGANIC CHEMISTRY 64, 19266-19278, 2025 [doi]
    24. Jha, Vibhuti Bhushan, Seshasayanan, Kannabiran and Dallas, Vassilios, Cascades transition in generalised two-dimensional turbulence, JOURNAL OF FLUID MECHANICS 1008, 2025 [doi]
    25. Sultana, Shaheen, Singh, Ranjeet and Datta, Prasanta Kumar andBiradha, Kumar, Transparent thin films via single-crystal-to-single-crystalphotopolymerization of a flexible diene for femtosecond-scalethird-order optical nonlinearity, ACS APPLIED POLYMER MATERIALS 7, 9797-9807, 2025 [doi]
    26. Rahatgaonkar, Asmita M and Ghosh, Somnath, Large eddy simulation of high reynolds number compressible round jets:insights into compressibility effects, PHYSICS OF FLUIDS 37, 2025 [doi]
    27. Maji, Kakoli, Palai, Angshuman, Mallick, Dibyendu and Maji, Biplab, Cobalt-catalyzed enantioselective reductive coupling of imines andinternal alkynes, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64, 2025 [doi]
    28. Parida, Sanjukta, Patra, Sanjib K and Mishra, Sabyashachi, Hole and electron mobility in sulfur- and bn-functionalized perylenediimides: a computational study, JOURNAL OF PHYSICAL CHEMISTRY C 129, 10264-10277, 2025 [doi]
    29. Sahu, Toshan lal, Chetan, Ujjwal, Dhopeshwar, Saurabh, Kar,Prabir Kumar, Das, P and Lakkaraju, Rajaram, Entrainment characteristics of a swirling liquid jet plunging in aquiescent pool of liquid, INTERNATIONAL JOURNAL OF MULTIPHASE FLOW 192, 2025 [doi]
    30. Yadav, Anuj, Prajapati, Kamal Kishor and Mitra, Mira, Deep learning-assisted prediction of mean grain size of polycrystallinematerials from ultrasonic wave response, MECHANICS OF MATERIALS 207, 2025 [doi]
    31. Baguli, Sudip, Sarkar, Subham, Nath, Soumajit, Mallick,Dibyendu and Mukherjee, Debabrata, Gauging the intramolecular c ar-i activation from twoparallel sets of mcl (m = cu, ag, au) adducts of an iodobenzyl caac andits nhc variant, INORGANIC CHEMISTRY 64, 15424-15436, 2025 [doi]
    32. Karmakar, Abhirup Roy, Taraphder, A and Das, G P, Large circular photogalvanic effect in the noncentrosymmetric magneticweyl semimetal cealsi, PHYSICAL REVIEW B 111, 2025 [doi]
    33. Patra, Shanti Gopal, Poddar, Arpita, Jha, Ruchi, Kadam, SumitSatish, Paul, Chhanda and Chattaraj, Pratim Kumar, Mechanochemical diels-alder reactions: conceptual density functionaltheory and information-theoretic analyses, CHEMPHYSCHEM 26, 2025 [doi]
    34. Sethi, Siddha Sankalpa, Lakshan, Achintya, Roy, Ahin, Das,Siddhartha, Das, Karabi and Jana, Partha Pratim, Unveiling the unique site preference of ga in the defect wurtzite typein2se3-ga2se3 system: anexperimental and computational study, DALTON TRANSACTIONS 54, 8673-8682, 2025 [doi]
    35. Sharma, Hitesh, Roy, Arnab and Mistry, Chetan S, Detailed flow analysis of feedback-channel-type fluidic oscillator usingdynamic mode decomposition, AIAA JOURNAL 63, 3231-3249, 2025 [doi]
    36. Dhopeshwar, Saurabh, Chetan, Ujjwal, Sahu, Toshan Lal andLakkaraju, Rajaram and Chakraborty, Suman, Surface tension-modulated solitary waves on falling liquid films in thedrag-inertia regime, PHYSICS OF FLUIDS 37, 2025 [doi]
    37. Sk, Ismail, Chatterjee, Joydeep, Taraphder, Arghya and Pakhira,Nandan, Role of correlation and spin-orbit coupling in lub4: a firstprinciples study, EUROPEAN PHYSICAL JOURNAL B 98, 2025 [doi]
    38. Dolai, Suman, Karmakar, Soumyajit, Kundu, Souvik, Mishra,Sabyashachi and Patra, Sanjib K, Redox-assisted controlled radical polymerization of acrylates bystrategically designed ruii-feii heterobimetallic conjugate, CHEMISTRY-A EUROPEAN JOURNAL 31, 2025 [doi]
    39. Kumar, Rajat, Pathak, Nitesh Kumar, Sarkar, Jayanta Kumar andTripathy, Umakanta and Datta, Prasanta Kumar, Vibrational spectra of serotonin by terahertz time domain spectroscopyand dft simulations, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 329, 2025 [doi]
    40. Ghosh, Minakshi, Saha, Shuvendu and Maji, Modhu Sudan, Reversed allylation of 3-alkenyl indoles using allyl boronic acids:access to tryptamine based alkaloids, CHEMISTRY-A EUROPEAN JOURNAL 31, 2025 [doi]
    41. Senapati, Arahata, Singh, Gaurav, Atta, Arnab and Lakkaraju,Rajaram, Dynamics of jet formation in inertial droplet, INTERNATIONAL JOURNAL OF MULTIPHASE FLOW 189, 2025 [doi]
    42. Singh, Zimmi, Kumar, Abhishek and Mukherjee, Sankha, Unveiling magnetic transition-driven lattice thermal conductivityswitching in monolayer vs2, NANOSCALE 17, 6550-6561, 2025 [doi]
    43. Dolai, Suman, Karmakar, Soumyajit, Das, Premnath, Mishra,Sabyashachi and Patra, Sanjib K, Bench-stable fe(iii)-bimetallic photocatalyst for controlledpolymerization of acrylates via lmct excited state, ORGANOMETALLICS 44, 2481-2486, 2025 [doi]
    44. Kumar, R and Ghosh, A, Instability of isolator shocks to fuel flow rate modulations in astrut-stabilised scramjet combustor, AERONAUTICAL JOURNAL 129, 42-62, 2025 [doi]
    45. Adak, Rajosik, Mandal, Arindam and Saha, Sandeep, Direct numerical simulations of dragonfly-inspired corrugated tandemairfoils at low reynolds number, BIOINSPIRATION \& BIOMIMETICS 20, 2025 [doi]
    46. Kumar, Jitendra and Afzal, Mohammad Saud, Performance evaluation of a double-pipe heat exchanger using plain andrectangular-cut multi-channel twisted tapes, INTERNATIONAL JOURNAL OF THERMAL SCIENCES 215, 2025 [doi]
    47. Basak, Arindam, Lakkaraju, Rajaram and Sekhar, G P Raja, Steering a thermocapillary droplet motion in combined couette-poiseuilleflow, JOURNAL OF ENGINEERING MATHEMATICS 151, 2025 [doi]
    48. Manikandan, D and Chakraborty, Suman, Massively improved water desalination performance using phase-engineeredmos2 nanopores, NANO LETTERS 25, 10870-10878, 2025 [doi]
    49. Malshikare, Hrushikesh and Sengupta, Durba, Membrane remodeling by the caveolin-1 8s oligomeric complex, BIOPHYSICAL JOURNAL 124, 3206-3216, 2025 [doi]
    50. Goswami, Abhinava, Phukan, Gongotree, Maiti, Soham, Borah, J P and Soibam, Ibetombi, Dft and experimental study on the structural, magnetic and self-heatingbehaviour of mn-substituted co-zn ferrites, JOURNAL OF ALLOYS AND COMPOUNDS 1038, 2025 [doi]
    51. Goswami, Abhinava, Maiti, Soham and Soibam, Ibetombi, A combined theoretical and experimental study on conventionally sinteredmn-substituted co-zn ferrites: insights into magnetic interactions andcation distribution, CERAMICS INTERNATIONAL 51, 12060-12071, 2025 [doi]
    52. Prasad, Aarushi, Thomas, Jobin, Bhatt, Sakshi, Ghosh, Anupamand Ranjan, Shivendu and Satija, Jitendra, Andrographolide derivative as therapeutic lead against mutatedβ-lactamase enzyme: an in-silico approach to combat amr, CHEMISTRYSELECT 10, 2025 [doi]
    53. Gill, Sukhdeep Singh and Bharadwaj, Somnath, Brisk estimator for the angular multipoles of the redshift spacebispectrum, PHYSICAL REVIEW D 111, 2025 [doi]
    54. Sarkar, Arka Prava and Reddy, Sandeep K, Adsorption of imidazolium-based ionic liquid on pt(111) surface studiedusing density functional theory, ADVANCED THEORY AND SIMULATIONS 8, 2025 [doi]
    55. Patel, Shubham and Taraphder, A, Superconductivity, valence skipping, and topological crystallinemetallic phase in agsnse2, PHYSICAL REVIEW B 111, 2025 [doi]
    56. Sahewal, Sakshi, Sharma, Ankita, Sharma, Priyank Kumar andMallick, Dibyendu, Pandey, Upendra Kumar and Das, Soumyajit, Synthesis of a selena-hybrid {[}5]radialene derivative and explorationof polycyclic heteroterphenoquinones as ambipolar charge carriers, EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 28, 2025 [doi]
    57. Singh, Gaurav, Senapati, Arahata, Atta, Arnab and Lakkaraju,Rajaram, Optimizing fluid mixing in channel flow using wall-mounted flexiblestructures, COMPUTERS \& FLUIDS 291, 2025 [doi]
    58. Biswal, Sankalp, Barik, Rakesh Kumar, Bakshi, Anmol, Neogy,Suman, Tewari, Raghvendra, Dutta, Amlan and Chakrabarti, Debalay, Deciphering the atomic-scale interactions between screw dislocation andcopper precipitate in austenitic stainless steel using moleculardynamics simulation, COMPUTATIONAL MATERIALS SCIENCE 250, 2025 [doi]
    59. Rahman, Shakilur, Bhattacharya, Ayush, Jana, Prerona, Ganguly,Manisha, Das, Amit Kumar, Hazra, Ditipriya and Roychowdhury, Amlan, Subtractive proteomics unravel the potency of d-alanine-d-alanine ligaseas the drug target for burkholderia pseudomallei, INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES 314, 2025 [doi]
    60. Das, Arunava, Dutta, Pinaki, Panigrahi, Kamal L and Shukla,Vishwanath, Lyapunov spectra and fluctuation relations: insights from thegalerkin-truncated burgers equation, CHAOS 35, 2025 [doi]
    61. Shekhar, Devanshu and Shukla, Pragya, Distribution of the entanglement entropies of nonergodic quantum states, PHYSICAL REVIEW E 112, 2025 [doi]
    62. Saha, Subhajit, Pal, Debasis and Biradha, Kumar, Enclathration of aliphatic alcohols by1,4-bis(4,5-bis(4-bromophenyl)-imidazolyl)benzene: influence of alcoholchain length on photochromic efficiency and response time, CRYSTAL GROWTH & DESIGN 25, 1174-1181, 2025 [doi]
    63. Dubey, Pawan Kumar, Bandopadhyay, Aditya and Manna, Indranil andChakraborty, Suman, Role of melt pool convection in optimising defect free componentsfabricated via laser powder bed fusion of cusn alloy, APPLIED THERMAL ENGINEERING 268, 2025 [doi]
    64. Sarkar, Arka Prava, Sahu, Rahul, Giri, Sandip and Anoop, Anakuthiland Reddy, Sandeep K, Exploring the conformational space of a sulfonyl-based ionic liquid onplatinum-based mono and bimetallic surfaces, LANGMUIR 41, 3187-3198, 2025 [doi]
    65. Mondal, Amit, Patel, Shubham, Pan, Rahul, Kuila, Sandip Kumarand Dey, Riju, Schumacher, Lars, Bera, Anup Kumar, Poettgen,Rainer and Jana, Partha Pratim, Chemical disorder-driven cluster spin glass in pseudobinaryco2zn10.2mn0.8: an experimental andtheoretical study, INORGANIC CHEMISTRY 64, 6597-6611, 2025 [doi]
    66. Firoj, Shaik and Afzal, Mohammad Saud, Hydrodynamic performance of arc-shaped breakwater: role of geometry andobliquity, PHYSICS OF FLUIDS 37, 2025 [doi]
    67. Sahoo, Satyabrata Nigamananda, Avula, Indu, Mandal, Santanu andPal, Surasree, Balla, Vamsi Krishna and Roy, Mangal, Ab initio study of precipitate stability in an mg-zn-zr-y alloyand its effects on corrosion, antimicrobial and in vitrobiocompatibility, JOURNAL OF MATERIALS CHEMISTRY B 13, 6533-6550, 2025 [doi]
    68. Dubey, Pawan Kumar, Bandopadhyay, Aditya and Manna, Indranil andChakraborty, Suman, Integrating experiments and simulations to correlate thermal convectionand defect morphologies in the overlapping tracks of cu-cr alloy duringlaser-assisted additive manufacturing, JOURNAL OF APPLIED PHYSICS 137, 2025 [doi]
    69. Mandi, Ashok, Bar, Nandagopal, Ray, Arindam, Ghosh, Keya andKhatun, Masuma, Mandal, Anuva, Mondal, Dhrubajyoti, Das, GourabKanti and Chowdhury, Pranesh, Synthesis of a photochromic schiff base metal complex for thespectroscopic, thermodynamic, and computational studies, CHEMISTRYSELECT 10, 2025 [doi]
    70. Poddar, Arpita, Zhao, Dongbo, Ayers, Paul W and Liu, Shubin andChattaraj, Pratim K, What dictates the α-effect in gas-phase sn2 reactions? adensity functional theory study, JOURNAL OF PHYSICAL CHEMISTRY A 129, 1847-1855, 2025 [doi]
    71. Metya, Abhisek, Sen, Supreeta, Bhattacharyya, Arya and Maji, ModhuSudan, En route to anthanthrenes through bottom-up apex strategy byperi-c-h activation, ORGANIC LETTERS 27, 4202-4207, 2025 [doi]
    72. Firoj, Shaik and Afzal, Mohammad Saud, Numerical analysis of solitary wave diffraction by v-shaped breakwater, OCEAN ENGINEERING 335, 2025 [doi]
    73. Chaudhuri, Abhirup, Bakli, Chirodeep and Chakraborty, Suman, Anomalous interplay of confinement, wettability, and salt concentrationtoward diffusion of saline water in nanochannels, JOURNAL OF CHEMICAL PHYSICS 163, 2025 [doi]
    74. Sarkar, Subharthi, Khan, Mohd Imran and Maity, Rajib, Deep learning reveals future streamflow characteristics change andclimate sensitivity, JOURNAL OF HYDROLOGY 660, 2025 [doi]
    75. Krishnananda, C P , Burada, P S , Dasgupta, Swagata and Roy,Anushree, Microscopic machinery for ion-triggered drug release from goldnanoparticles-drug conjugates: optical spectroscopy and moleculardynamics studies, PHYSICAL REVIEW E 111, 2025 [doi]
    76. Mahato, Jagannath, Sahu, Toshan Lal, Chetan, Ujjwal, Kar,Prabir Kumar, Srivastava, Dhananjay Kumar and Lakkaraju, Rajaram, Large eddy simulation of flow separation-induced disturbance evolutioninside a sudden contracting nozzle, ACTA MECHANICA 236, 745-765, 2025 [doi]
    77. Gangopadhyay, Sumit, Das, Gourav, Sharma, Swrajit Nath, Ghosh,Atanu, Bagale, Siddharam Shivappa, Sinha, Surajit and Gore, KiranR, 4′-o-methoxyethyl-2′-deoxy-uridine and cytidine ribonucleotides improveduplex stability, nuclease resistance, and elicit efficient knockdown ofbcl-2 expression, BIOORGANIC \& MEDICINAL CHEMISTRY LETTERS 128, 2025 [doi]
    78. Biswas, Suchhanda, Paul, Sayan, Pal, Subham, Suhana, Sarmin andPramanik, Manotosh, Pal, Bipul, Jana, Batakrishna and Singh, N D Pradeep, Two-photon activable excited-state proton transfer-inducedphotoresponsive nanocarriers for in vitro image-guided deliveryof bioactive molecules, ACS APPLIED NANO MATERIALS 8, 8937-8947, 2025 [doi]
    79. Pal, Subham, Paul, Sayan, Biswas, Suchhanda and Jana, Batakrishnaand Singh, N D Pradeep, Green-light responsive fluorescein-based photoremovable protectinggroup: nanoparticle formulation for controlled release of bioactivemolecules with real-time-monitoring ability, JOURNAL OF MATERIALS CHEMISTRY B 13, 7172-7180, 2025 [doi]
    80. Khatun, Masuma, Bar, Nandagopal, Biswas, Debrupa, Das, GaurabKanti and Chowdhury, Pranesh, Cyan emissive polyethyleneimine: exploration of fluorescence mechanismfor real applications, JOURNAL OF APPLIED POLYMER SCIENCE 142, 2025 [doi]
    81. Ghosh, Subhadip, Shukla, Shivam and Srivastava, Sanjeev Kumar, Study of defect-induced magnetic anisotropy in mwcnt and rgo dispersedsnte using spin resonance and magnetic measurement, NANOSCALE 17, 17369-17383, 2025 [doi]
    82. Kumar, Rajat, Piccirilli, Federica, Di Pietro, Paola, Schmidt,Johannes, Birarda, Giovanni, Vaccari, Lisa and Perucchi, Andreaand Datta, Prasanta Kumar, Broadband terahertz signatures and vibrations of phe-phe peptide and itsfibrils, ANALYST 150, 2545-2553, 2025 [doi]
    83. Debnath, Subradip, Arya, Vinay, Kim, Bohung and Bakli, Chirodeepand Chakraborty, Suman, Interplay of topography, wettability, and confinement controls boilingof water over functionalized graphene interfaces, ENERGY 333, 2025 [doi]
    84. Sethi, Siddha Sankalpa, Dutta, Arnab, Jaffal, Emil I , Yadav,Nishant, Shiryaev, Danila, Hoang, Brian, Machathi, Anirudh andLee, Sangjoon, Das, Karabi, Jana, Partha Pratim and Oliynyk, AntonO, Unsupervised machine learning prediction of a novel 1:3 intermetallicphase with the synthesis of tbir3 (puni3-type) asexperimental validation, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 147, 14739-14755, 2025 [doi]
    85. Biswas, Rupam, Bhattacharje, Gourab, Singh, Bina Kumari, Dutta,Debajyoti, Basak, Amit and Das, Amit Kumar, Crystal structure and molecular dynamics simulation ofmycobacterium tuberculosis maoc-like dehydratase htdx provideinsights into substrate binding and membrane interactions, BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1873, 2025 [doi]
    86. Karmakar, Srijeeb, Manglam, Jishnu, Kant, Krishna and De, Soumya, Investigating the context-dependent phase separation of human hoxtranscription factors, PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 93, 2034-2049, 2025 [doi]
    87. Anagha, K S and Kuttippurath, Jayanarayanan, Surface ozone pollution-driven risks for the yield of major food cropsunder future climate change scenarios in india, ENVIRONMENTAL RESEARCH 275, 2025 [doi]
    88. Ghosh, Subhadip and Srivastava, Sanjeev Kumar, Study of proximity-coupled magnetic anisotropy in v-doped snte usingspin resonance and magnetic measurements, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 27, 11499-11511, 2025 [doi]
    89. Avula, Indu, Singh, Zimmi, Mukherjee, Sankha and Roy, Mangal, Micromechanical behavior of bcc phases in titanbzrmo andti5ta35nb20zr20mo20 refractory high entropy alloys for total jointreplacement, SCRIPTA MATERIALIA 257, 2025 [doi]
    90. Khan, Anasua, Banerjee, Debdatta, Rawat, Divya, Nath, T K andSoni, Ajay, Chatterjee, Swastika and Taraphder, A, Emergence of spin-phonon coupling in a gd-dopedy2comno6 double perovskite oxide: a combinedexperimental and ab initio study, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 27, 18005-18014, 2025 [doi]
    91. Halder, Soumyadeep, Ghosh, Hari Sadhan, Saboo, Arpana, Martin,Andy M and Majumder, Sonjoy, Roadmap to vortex nucleation below the critical rotation frequency in adipolar bose-einstein condensate, PHYSICAL REVIEW A 111, 2025 [doi]
    92. Sahoo, Avijit, Gupta, Shalini, Das, Gourav, Sharma, SwrajitNath, Ghosh, Atanu, Bagale, Siddharam Shivappa and Sinha, Surajitand Gore, Kiran R, Thermodynamic destabilization and structural adaptability of2′-alkoxy/fluoro-n 3-methyl pyrimidine nucleotides insirna enhance rna interference activity, JOURNAL OF MEDICINAL CHEMISTRY 68, 16371-16394, 2025 [doi]
    93. Saboo, Arpana, Halder, Soumyadeep and Thudiyangal, Mithun andMajumder, Sonjoy, Magnetization induced skyrmion dynamics of a spin-orbit-coupled spinorcondensate under sinusoidally varying magnetic field, NEW JOURNAL OF PHYSICS 27, 2025 [doi]
    94. Das, Prasenjit and Chattaraj, Pratim Kumar, Bare and ligand-stabilized planar hexacoordinate boron (phb) inabec2b4 (a = p, as, sb, and bi) clusters, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 21, 776-786, 2025 [doi]
    95. Mondal, Saugat, An, Jusung, Bera, Tapas, Banerjee, Moumita andDebnath, Snehasish, Mandal, Debasish, Sikder, Antara, Guha,Samit, Kim, Jong Seung and Singh, N D Pradeep, Engineering a green fluorescent protein-core-inspired nir-photocage:exploring meso-gfp-prpg toward alzheimer's disease therapeutics, ACS CENTRAL SCIENCE 11, 1062-1070, 2025 [doi]
    96. Sharma, Vineet, Singh, Gauravendra P and Chakraborty, Arun, Variabilities in onset and withdrawal characteristics of indian summermonsoon after 1998 climate shift: dynamical role of somali jet, THEORETICAL AND APPLIED CLIMATOLOGY 156, 2025 [doi]
    97. Priya, V R Krishna, Patil, Snehal Sunil, Roy, Somnath andAditya, Konduri and Lakkaraju, Rajaram, Probing quasigeostrophic turbulence via complex networks, PHYSICAL REVIEW FLUIDS 10, 2025 [doi]
    98. Zhou, Qingqing, Maithani, Vinay, Prati, Michael, Ippolito,Stefano, Creighton, Megan A , Gogotsi, Yury and Mukherjee, Sankhaand Cao, Changhong, Interfacial shear strength of mxene interfaces, CELL REPORTS PHYSICAL SCIENCE 6, 2025 [doi]
    99. Tian, Wei-Dong, Zhang, Chengkai, Paul, Sayan, Si, Wei-Dan andWang, Zhi, Sun, Pan-Pan, Anoop, Anakuthil and Tung, Chen-Ho andSun, Di, Lattice modulation on singlet-triplet splitting of silver clusterboosting near-unity photoluminescence quantum yield, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64, 2025 [doi]
    100. Chatterjee, Hindol, Dutta, Pallab, Zacharias, Martin and Sengupta,Neelanjana, Learning transition path and membrane topological signatures in thefolding pathway of bacteriorhodopsin (br) fragment with artificialintelligence, JOURNAL OF CHEMICAL PHYSICS 162, 2025 [doi]
    101. Das, Tilak, Nieves, Pablo and Legut, Dominik, Large magnetocrystalline anisotropic energy and its impact onmagnetostriction of l10-fept, JOURNAL OF PHYSICS D-APPLIED PHYSICS 58, 2025 [doi]
    102. Wu, Qi, Ghosal, Krishanu, Kana'an, Nadine, Roy, Shounak andRashed, Nagham, Majumder, Ranabir, Mandal, Mahitosh and Gao, Liangand Farah, Shady, On-demand imidazolidinyl urea-based tissue-like, self-healable, andantibacterial hydrogels for infectious wound care, BIOACTIVE MATERIALS 44, 116-130, 2025 [doi]
    103. Pan, Rahul, Buxi, Krishnendu, Labib, Farid, Mondal, Amit andGhanta, Bibhas, Kuila, Sandip Kumar, Bera, Anup Kumar, Roy,Ahin, Tamura, Ryuji and Jana, Partha Pratim, Ferromagnetic cluster glass behaviour in the γ-brass typephase-fe2zn10ni1, JOURNAL OF ALLOYS AND COMPOUNDS 1040, 2025 [doi]
    104. Thorat, Akshay, Sahu, Rahul, Pattnaik, Udaijit, Suresh,Devamrutha Ilayidathu, Senanayak, Satyaprasad P , Reddy, SandeepK and Kulkarni, Chidambar, Tuning the dimensionality of functional thiazolo{[}5,4-d]thiazolebased supramolecular polymers via competitive interactions, CHEMICAL SCIENCE 16, 17867-17875, 2025 [doi]
    105. Biswas, Debrupa, Chowdhury, Pranesh, Bar, Nandagopal and Das,Gourab Kanti, Pyrene-attached new schiff base polymer: acq to aie conversion and itsprospects, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 329, 2025 [doi]
    106. Yadav, Manjul, Kharche, Shalmali, Prakash, Shikha and Sengupta,Durba, Benchmarking a dual-scale hybrid simulation framework for small globularproteins combining the charmm36 and martini2 models, JOURNAL OF MOLECULAR GRAPHICS & MODELLING 135, 2025 [doi]
    107. Banerjee, Moumita, Giri, Sandip and Anoop, Anakuthil, Computational investigation of meso-substituted, heavy atom-free bodipyderivatives as photosensitizers: insights from tddft and dynamicsstudies, CHEMISTRY-AN ASIAN JOURNAL 20, 2025 [doi]
    108. Midya, Uday Sankar and Bandyopadhyay, Sanjoy, Antifreeze protein activity: from ice binding to ice growth inhibition, ADVANCED THEORY AND SIMULATIONS 8, 2025 [doi]
    109. Saurabh Kumar Singh and Pradeep Kumar Kumawat, Deep learning-based damage detection and segmentation in the battledore of darbhanga fort, Journal of Cultural Heritage 73, 510-523, 2025 [html] [doi]
    110. Patnaik, P , Das, Tilak, Tosoni, Sergio and Das, G, 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, Applied Physics A 131, , 2025 [html] [doi]
    111. Pathak, Santanu, Das, Parnika and Das, Tilak, First-principles insights into hyperfine parameters in the pristine and ta-probed monoclinic hafnia, Applied Physics A 131, , 2025 [html][doi]
    112. Paul, Hrishikesh, Chakraborty, Arijit, Mandal, Animesh, Das, Dibyangshu, Mahapatra, Sanat Kumar, Roy, Lisa and Chatterjee, Indranil, Electron donor--acceptor complex offers a diverse approach for carbonyl alkylative amination, Chemical Science 16, 20061-20072, 2025 [html] [doi]
    113. Mahapatra, Sanat Kumar, Ghosh, Bijoy and Roy, Lisa, Harnessing selectivity and reactivity with noncovalent interactions in molecular and supramolecular organo-catalysis: a computational perspective, ChemCatChem 17, e01069, 2025 [html] [doi]
    114. Paul, Biprajit, Das, Surajit, Mahapatra, Sanat Kumar, Roy, Lisa and Chatterjee, Indranil, Merging photochemical olefin metathesis with an amination reaction, ACS Catalysis 15, 13810-13820, 2025[html] [doi]
    115. Biswas, Soumya, Chatterjee, Samyabrata, DasGupta, Sunando and Chakraborty, Monojit, On the relation between hamaker constant and contact line friction, Langmuir, 41, 30351-30359, 2025 [html] [doi]
    116. Safikul Islam, Niladri Sekhar Kander, Sajib Biswas and Amal Kumar Das, First-principles studies on the magnetic properties, exchange interactions and spin hall conductivity of the half-heusler alloy mgmnge, Physica B: Condensed Matter 698, 416661, 2025 [html] [doi]

    2024

    1. Panda, Itishree, Chatterjee, Samyabrata and Chakraborty, Monojit andDasgupta, Sunando, Multiscale investigation of liquid imbibition on an electrodepositedrough surface, LANGMUIR 40, 25849-25861, 2024 [doi]
    2. Mandi, Ashok, Bar, Nandagopal, Biswas, Debrupa, Ray, Arindamand Ghosh, Keya, Mondal, Dhrubajyoti and Das, Gourab Kanti andChowdhury, Pranesh, Rhodamine 6g salicylaldehyde hydrazone-zn complex: synthesis,characterization, photochromism, understanding, and application, JOURNAL OF LUMINESCENCE 271, 2024 [doi]
    3. Ghosh, Keya, Mandi, Ashok, Bar, Nandagopal, Ray, Arindam andMondal, Dhrubajyoti, Das, Gourab Kanti and Chowdhury, Pranesh, Synthesis of a new schiff base probe: crystal structure, spectralproperties, understanding and prospect, JOURNAL OF CHEMICAL SCIENCES 136, 2024 [doi]
    4. Karak, Pijush, Adhikary, Rajannya and Chakrabarti, Swapan, Nonradiative spin-forbidden decay processes in π- andmultiresonance-acceptor-based tadf molecules, JOURNAL OF PHYSICAL CHEMISTRY C 128, 16879-16891, 2024 [doi]
    5. Bar, Nandagopal, Chowdhury, Pranesh and Das, Gourab Kanti, The photodynamic approach to the molecular-level origin of metal-guidedphotochromism and ultrafast absorption spectroscopy, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 312, 2024 [doi]
    6. Das, Arunava, Dutta, Pinaki and Shukla, Vishwanath, Poles, shocks, and tygers: the time-reversible burgers equation, PHYSICAL REVIEW E 109, 2024 [doi]
    7. Arya, Vinay, Chaudhuri, Abhirup and Bakli, Chirodeep, Wettability-modulated behavior of polymers under varying degrees ofnano-confinement, JOURNAL OF CHEMICAL PHYSICS 160, 2024 [doi]
    8. Ojha, Mamata, Banerjee, Moumita, Mandal, Madhurima, Singha,Tara, Ray, Souvik, Datta, Prasanta K , Mandal, Mahitosh andAnoop, Anakuthil and Singh, N D Pradeep, Two-photon-responsive ``tict plus aie{''} activenaphthyridine-bf2 photoremovable protecting group:application for specific staining and killing of cancer cells, ACS APPLIED MATERIALS & INTERFACES 16, 21486-21497, 2024 [doi]
    9. Chatterjee, Samyabrata, Ganesh, Pabbu Surya and Chakraborty, Monojit, Molecular insight into sequence-defined polyelectrolytes for energystorage devices, ELECTROCHIMICA ACTA 491, 2024 [doi]
    10. Arya, Vinay, Chaudhuri, Abhirup and Bakli, Chirodeep, Passive fractionating mechanism for oil spill using shear-wettabilitymodulation, NANOSCALE 16, 2024 [doi]
    11. Bhattacharje, Gourab, Ghosh, Amit and Das, Amit Kumar, Deciphering the mannose transfer mechanism of mycobacterial pime bymolecular dynamics simulations, GLYCOBIOLOGY 34, 2024 [doi]
    12. Mandal, Chhotan, Sarkar, Subham, Panda, Sourav, Mallick,Dibyendu and Mukherjee, Debabrata, Synthesis and reactivity of a heteroleptic magnesium hydride on adearomatized picolyl-based nnn-chelator, DALTON TRANSACTIONS 53, 17343-17350, 2024 [doi]
    13. Huh, SeungJung, Mukherjee, Koushik, Kwon, Kiryang, Seo, Jihoonand Hur, Junhyeok, Mistakidis, Simeon I and Sadeghpour, H R andChoi, Jae-yoon, Universality class of a spinor bose-einstein condensate far fromequilibrium, NATURE PHYSICS 20, 2024 [doi]
    14. Verma, Prakhar, Puravankara, Sreeraj and Chakraborty, Jayanta, Combination of a phase-field model with nucleation kinetics to simulatelithium dendrite growth, JOURNAL OF PHYSICAL CHEMISTRY C 128, 17328-17341, 2024 [doi]
    15. Panda, Sunanda and Anoop, Anakuthil, Potential prebiotic pathways in extraterrestrial atmosphere: acomputational exploration of hcn and nh3 reactions, ACS EARTH AND SPACE CHEMISTRY 8, 348-360, 2024 [doi]
    16. Pati, Anindita, Kundu, T K and Pal, Snehanshu, Exploring the influence of bis-phosphine ligands on lanthanidecomplexes: a dft study, COMPUTATIONAL AND THEORETICAL CHEMISTRY 1235, 2024 [doi]
    17. Gupta, Ankit and Burada, P S, Role of obstacle softness in the diffusive behavior of active particles, JOURNAL OF CHEMICAL PHYSICS 161, 2024 [doi]
    18. Midya, Uday Sankar and Bandyopadhyay, Sanjoy, Ice recrystallization unveils the binding mechanism operating at adiffused interface, JOURNAL OF PHYSICAL CHEMISTRY B 128, 1170-1178, 2024 [doi]
    19. Ray, Souvik, Roy, Saikat, Biswas, Suchhanda and Ojha, Mamata andSingh, N D Pradeep, A molecular engineering approach to achieve wavelength-selectivephotorelease using a dynamic photocage, ORGANIC LETTERS 26, 6236-6240, 2024 [doi]
    20. Goswami, Santu, Sarkar, Subham, Mallick, Dibyendu and Mukherjee,Debabrata, An imidazolium salt that uncharacteristically avoids the imminentdeprotonation of its acidic 2-h proton bykn(sime3)2, ORGANOMETALLICS 43, 1308-1316, 2024 [doi]
    21. Adhikary, Tapasendra, Das, Gour Prasad, Biswas, Somjeet and Aich,Shampa, Mechanical behavior of ni/ti bilayer-based shape memory alloys:endorsement via atomistic simulations, PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART E-JOURNAL OFPROCESS MECHANICAL ENGINEERING, 2024 [doi]
    22. Maithani, Vinay, Das, Sumantra and Mukherjee, Sankha, Cooperative transport of lithium in disorderedli10mp2s12 (m = sn, si) electrolytesfor li-ion batteries, CHEMISTRY OF MATERIALS 36, 10537-10551, 2024 [doi]
    23. Mondal, Sumana, Sarkar, Subham, Mallick, Dibyendu and Mukherjee,Debabrata, Fluorenyl-tethered n-heterocyclic carbene: an effective ancillarysupport for heteroleptic magnesium organometallics, POLYHEDRON 251, 2024 [doi]
    24. Jha, Roshan Kumar, Kumar, Ranjeet, Dutta, Amlan and Mandal,Sumantra, Implication of site-specific segregation on grain boundary structuraltransition and deformation response in nanocrystalline ni-nb alloy, COMPUTATIONAL MATERIALS SCIENCE 233, 2024 [doi]
    25. Karan, Ganesh, Sahu, Samrat, Metya, Abhisek and Maji, Modhu Sudan, Asymmetric 1,2-migration at vicinal tetrasubstituted stereocentersconstructed from α-keto imines, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 63, 2024 [doi]
    26. Jahagirdar, Sushma, Kumar, Harshini Praveen, Bhat, Smitha S andPoddar, Arpita, Chattaraj, Pratim Kumar and Ahmad, Sheikh F andPrasad, Shashanka K, In silico evaluations of phytochemicals from withaniasomnifera exhibiting anticancer activity against nad{[}p]h-quinoneoxidoreductase, HUMAN & EXPERIMENTAL TOXICOLOGY 43, 2024 [doi]
    27. Chetan, Ujjwal, Kar, Prabir Kumar, Sahu, Toshan Lal andDhopeshwar, Saurabh, Mahato, Jagannath and Aditya, Konduri andLakkaraju, Rajaram, Laminar line source starting plumes and their interaction with energyexpulsion events, ACTA MECHANICA 235, 2675-2694, 2024 [doi]
    28. Mondal, Sumana, Sarkar, Subham, Mandal, Chhotan, Mallick,Dibyendu and Mukherjee, Debabrata, Fluorenyl-tethered n-heterocyclic carbene (nhc): an exclusive c-donorligand for heteroleptic calcium and strontium chemistry, CHEMICAL COMMUNICATIONS 60, 4553-4556, 2024 [doi]
    29. Kundu, Samrat, Ghosh, Chayan, Metya, Abhisek and Banerjee, Ankushand Maji, Modhu Sudan, Carbazoquinocin analogues as small molecule biomimetic organocatalystsin dehydrogenative coupling of amines, ORGANIC LETTERS 26, 1705-1710, 2024 [doi]
    30. Das, Sudipto, Das, Sahana and Mandal, Sudhansu S, Fractional quantum hall states of the a phase in the second landau level, PHYSICAL REVIEW LETTERS 132, 2024 [doi]
    31. Thomas, Jobin, Ghosh, Anupam, Ranjan, Shivendu and Satija,Jitendra, Cheminformatics approach to identify andrographolide derivatives as dualinhibitors of methyltransferases (nsp14 and nsp16) of sars-cov-2, SCIENTIFIC REPORTS 14, 2024 [doi]
    32. Bhusare, Harshad, Sarkar, Nandan, Kumar, Debajyoti and Roy,Somnath, Accelerated cfd computations on multi-gpu using openmp and openacc, SADHANA-ACADEMY PROCEEDINGS IN ENGINEERING SCIENCES 49, 2024 [doi]
    33. Khandelwal, Parth, Harshit and Manna, Indranil, Intelligent design of high strength and high conductivity copper alloysusing machine learning assisted by genetic algorithm, CMC-COMPUTERS MATERIALS \& CONTINUA 79, 1727-1755, 2024 [doi]
    34. Das, Sharmila, Kundu, Samrat, Metya, Abhisek and Maji, Modhu Sudan, A toolbox approach to revealing a series of naphthocarbazoles toshowcase photocatalytic reductive syntheses, CHEMICAL SCIENCE 15, 13466-13474, 2024 [doi]
    35. Kumar, Pawan, Roy, Somnath and Das, Prasanta Kumar, Stenosis severity and heart rate effects on left coronary arteryhemodynamics and myocardial oxygen balance: a comprehensive assessmentusing pressure gradient, PHYSICS OF FLUIDS 36, 2024 [doi]
    36. Kumar, Debajyoti, Sharma, Siddharth D and Roy, Somnath, Gpu optimized multi-block-multi-mesh immersed boundary method for flowsin complex arterial models, COMPUTERS \& FLUIDS 281, 2024 [doi]
    37. Patra, Shanti Gopal and Chattaraj, Pratim Kumar, Three coordinated first row-transition metal complexes, {[}m\{n (sime 3) 2 \} 3 ]-1/0: structure, bonding, and magnetic properties, POLYHEDRON 256, 2024 [doi]
    38. Singh, Gaurav, Senapati, Arahata, Atta, Arnab and Lakkaraju,Rajaram, Generating periodic vortex pairs using flexible structures, JOURNAL OF FLUIDS AND STRUCTURES 127, 2024 [doi]
    39. Dey, Saumava and Dhar, Anirban, Applicability of zero-inertia approximation for overland flow using ageneralized mass-conservative implicit finite volume framework, JOURNAL OF HYDROLOGIC ENGINEERING 29, 2024 [doi]
    40. Kundu, Samrat, Ghosh, Chayan, Metya, Abhisek, Banerjee, Ankush and Maji, Modhu Sudan, Carbazoquinocin analogues as small molecule biomimetic organocatalysts in dehydrogenative coupling of amines, Organic Letters 26, 1705-1710, 2024 [html] [doi]
    41. Karan, Ganesh, Sahu, Samrat, Metya, Abhisek and Maji, Modhu Sudan, Asymmetric 1,2-migration at vicinal tetrasubstituted stereocenters constructed from α-keto imines, Angewandte Chemie International Edition 63, e202405212, 2024 [html] [doi]
    42. Bhunia, Susanta, Karan, Ganesh, Snehil, Shubham and Maji, Modhu Sudan, Direct asymmetric synthesis of α-aminoimines from 1,2-bis-n-sulfinylimines by using allyl boronic acids, Angewandte Chemie International Edition 63, e202408886, 2024 [html] [doi]
    43. Singh, Ajey and Mistry, Chetan, Study of tandem rotor dual wake interaction with downstream stator under unsteady numerical approach, Journal of Engineering for Gas Turbines and Power 147, 081007, 2024 [html] [doi]
    44. Ankita Narwal, Subhadeep Banerjee, Sandeep K Reddy and Sharma S R K C Yamijala, Ab–stacked bilayer β12–borophene as a promising anode material for alkali metal-ion batteries, Journal of Energy Storage 102, 114023, 2024 [html] [doi]
    45. Ranjini Sarkar and 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, International Journal of Hydrogen Energy 95, 449-462, 2024 [html] [doi]
    46. Sarkar, Arka Prava, Investigating the role of anions in the adsorption of pyrrolidinium based ionic liquids on pt(111) surface using density functional theory, International Journal of Quantum Chemistry 124, e27497, 2024 [html] [doi]
    47. Karak, Pijush, Moitra, Torsha, Banerjee, Ambar, Ruud, Kenneth and Chakrabarti, Swapan, Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling, Phys. Chem. Chem. Phys. 26, 5344-5355, 2024 [html] [doi]
    48. Karak, Pijush, Manna, Pradipta, Banerjee, Ambar, Ruud, Kenneth and Chakrabarti, Swapan, Reverse intersystem crossing dynamics in vibronically modulated inverted singlet–triplet gap system: a wigner phase space study, The Journal of Physical Chemistry Letters 15, 7603-7609, 2024 [html] [doi]
    49. Muduli, Sunita, Karmakar, Soumyajit and Mishra, Sabyashachi, Role of electrostatic environment in modulating structural dynamics and ligand binding in microbial cgdapf, Biophysical Journal 123, 208a, 2024 [html] [doi]
    50. Dhananjaya Patra, Subir K Pati, Sunita Muduli, Sabyashachi Mishra and Sungjune Park, Highly planar pseudocapacitive semiconducting polymer electrodes toward symmetric supercapacitors with a wide range of operating potentials, Chemical Engineering Journal 482, 149162, 2024 [html] [doi]
    51. Nath, Moromi, Joshi, Shalini and Mishra, Sabyashachi, Ab initio calculation of magnetic anisotropy and thermal spin transition in the variable temperature crystal conformations of [co(terpy)2]2+, Physical Chemistry Chemical Physics 26, 15405–15416, 2024 [html] [doi]
    52. Singh, Harshdeep, Majumder, Sonjoy and Mishra, Sabyashachi, Hückel Molecular Orbital Theory on a Quantum Computer: A Scalable System-Agnostic Variational Implementation with Compact Encoding, The Journal of Chemical Physics 160, 2024 [html] [doi]
    53. Pati, Subir K , Patra, Dhananjaya, Muduli, Sunita, Mishra, Sabyashachi and Park, Sungjune, Conjugated polymer electrodes fabricated using rylene-based acceptors toward high energy and power density symmetric supercapacitors operable in an organic electrolyte environment, Journal of Materials Chemistry A 12, 21165–21175, 2024 [html] [doi]
    54. Hossain, Mozakkar, Singh, Kuntal, Narwal, Ankita, Sheikh, Md Sariful, Reddy, Sandeep K, Vankayala, Kiran, Singh, Asha, Khan, Saleem, Khan, Salahuddin, Velpula, Praveen Kumar, Chirumamilla, Manohar, Yamijala, Sharma S R K C , Grandhi, G Krishnamurthy, Vivo, Paola and Rao, K D M, Unveiling double a-site cation perovskite-inspired materials: from 0d-cs3bi2i9 to 2d-cs2agbi2i9 with enhanced charge transport, Chemistry of Materials 36, 7781-7791, 2024 [html] [doi]
    55. Sahu, Rahul, Yamijala, Sharma S R K C , Rao, Kotagiri Venkata and Reddy, Sandeep K, Dispersion-driven cooperativity in alkyl perylene diimide oligomers: insights from density functional theory, ChemPhysChem 25, e202400235, 2024 [html] [doi]
    56. Sahoo, Priyabrata, Gangaiah, Vijaya Kumar, Singh, Kuntal, Narwal, Ankita, Reddy, Sandeep Kumar, Yamijala, Sharma S R K C , Rao, K D M and Matte, H S S Ramakrishna, Identification of environmentally friendly solvents to exfoliate and stabilize the dispersions of antimony sulfide nanosheets for optoelectronic applications, ACS Applied Nano Materials 7, 13447-13456, 2024 [html] [doi]
    57. Majumder, Ranabir, Banerjee, Shreya, Paul, Sayan, Mondal, Saugat, Mandal, Madhurima, Ghosh, Priya, Maity, Debjit, Anoop, Anakuthil, Singh, ND Pradeep and Mandal, Mahitosh, Riboflavin-induced dna damage and anticancer activity in breast cancer cells under visible light: a td-dft and in vitro study, Journal of Chemical Information and Modeling 64, 5580-5589, 2024 [html] [doi]
    58. Xu, Tianyang, Paul, Sayan, Zhang, Chengkai, Azam, Mohammad, Han, Bao-Liang, Si, Wei-Dan, Wang, Zhi, Gao, Zhi-Yong, Anoop, Anakuthil, Tung, Chen-Ho and others, Boosting circularly polarized luminescent and decagram-scale mechanochemistry synthesis of atomically precise superstructure from achiral silver cluster and chiral cyclodextrin, CCS Chemistry, 1-13, 2024 [html] [doi]
    59. Patel, Shubham, Mohanta, Narayan, Nandy, Snehasish, Mahanti, Subhendra D and Taraphder, A, Layer-Dependent Electronic Structures and Magnetic Ground States of Polar-Polar  LaVO3/KTaO3 (001) Heterostructures, Phys. Rev. B 110, 054402, 2024 [html] [doi]
    60. Sahoo, Avijit, Gupta, Shalini, Das, Gourav, Ghosh, Atanu, Bagale, Siddharam, Sinha, Surajit and Gore, Kiran, 2'-O-Alkyl-N3-Methyluridine Functionalized Passenger Strand Improves RNAi Activity by Modulating the Thermal Stability, 15, 054402, 2024 [html] [doi]
    61. Patel, Shubham, Jena, Soumyasree and Taraphder, A, Electron-Phonon Coupling, Critical Temperatures, and Gaps in NbSe2/MoS2 Ising Superconductors , Phys. Rev. B 110, 014507, 2024 [html] [doi]
    62. Pinapatruni, Gangadhar VR, Duddupudi, Mouli Bhaskar, Dash, Sunil Manohar and Routray, Aurobinda, On the investigation of the aerodynamics performance and associated flow physics of the optimized tubercle airfoil, Physics of Fluids 36, 2024 [html] [doi]
    63. Das Shuvankar, Chakraborty Debarghya, Influence of rotated anisotropy and spatial variability of undrained clay on bearing capacity of strip footings under eccentric loading, Computers and Geotechnics 172, 106443, 2024 [html] [doi]
    64. Majumder, Ranabir, Banerjee, Shreya, Mandal, Madhurima, Patra, Sucharita, Das, Subhasis and Mandal, Mahitosh, A virtual drug discovery screening illuminates campesterol as a potent estrogen receptor alpha inhibitor in breast cancer, Journal of Medicinal Chemistry 67, 9773-10510, 2024 [html] [doi]
    65. Muduli, Sunita, Karmakar, Soumyajit and Mishra, Sabyashachi, Conformational dynamics in corynebacterium glutamicum diaminopimelate epimerase: insights from ligand parameterization, atomistic simulation, and markov state modeling, Journal of Chemical Information and Modeling 0, null, 2024 [html] [doi]
    66. Kotha, Srinu, Sahu, Rahul, Yadav, Aditya Chandrakant, Bejagam, Karteek K , Reddy, Sandeep K and Rao, Kotagiri Venkata, Pathway selection in temporal evolution of supramolecular polymers of ionic π-systems: amphiphilic organic solvent dictates the fate of water, Chemistry – A European Journal, e202303813, 2024 [html] [doi]
    67. Kotagiri, Venkata, Kotha, Srinu, Sahu, Rahul, Yadav, Aditya, Sharma, Preeti, B V V S, Pavan and Reddy, Sandeep Kumar, Noncovalent synthesis of homo and hetero-architectures of supramolecular polymers via secondary nucleation, Nature Communications, , 2024 [html] [doi]
    68. Ghosh, Arunima, Sahu, Rahul and Reddy, Sandeep K, Constructing one-dimensional supramolecular polymer structures using particle swarm optimization technique, Theor. Chem. Acc. 143, 2024 [html] [doi]
    69. Biswal, Gloria and Dash, Sukanta Kumar, Numerical investigation of unsteady heat transfer from a vertical helical coil, Applied Thermal Engineering 245, 122872, 2024 [html] [doi]
    70. Mandal, Chhotan, Joshi, Shalini, Das, Sanjay, Mishra, Sabyashachi and Mukherjee, Debabrata, 2-anilidomethylpyridine-derived three-coordinate zinc hydride: the journey unveils anilide backbone’s reactive nature, Inorganic Chemistry 63, 739-751, 2024 [html] [doi]
    71. Khan, Piru Mohan (পীরু মোহন খাঁ), Sharma, Siddharth D (સિદ્ધાર્થ દુ શર્મા), Chakraborty, Suman (সুমন চক্রবর্তী) and Roy, Somnath (সোমনাথ রায়), Effects of hematocrit levels on flow structures and stress levels in the healthy and diseased carotid arteries, Physics of Fluids 36, 011907, 2024 [html] [doi]
    72. Prasad, Dipak and Mitra, Nilanjan, Stereomutations in silicate oligomerization: the role of steric hindrance and intramolecular hydrogen bonding, Phys. Chem. Chem. Phys. 26, 7747-7764, 2024 [html] [doi]
    73. Poddar, Arpita, Chordia, Akshay and Chattaraj, Pratim Kumar, Qspr models for n-octanol/water partition coefficient and enthalpy of vaporization using cdft and information theory-based descriptors, Journal of Chemical Sciences 136, 1-16, 2024 [html] [doi]
    74. Lohani, Chandra Shekhar, Nayak, Suraj Kumar and Seshasayanan, Kannabiran, Effect of confinement on the transition from two-to three-dimensional fast-rotating turbulent flows, Physical Review Fluids 9, 034604, 2024 [html] [doi]
    75. Rakesh Kumar Barik, Tellakula Jayasree, Sankalp Biswal, Abhijit Ghosh and Debalay Chakrabarti, Investigating the ductile to brittle transition phenomenon in binary fe-ni systems using molecular dynamics simulation, Journal of the Mechanics and Physics of Solids 187, 105624, 2024 [html] [doi]
    76. Das Shuvankar, Chakraborty Debarghya, Effect of eccentric and inclined loading on the bearing capacity of strip footing placed on rock mass, Journal of Mountain Science 21, 292–312, 2024 [html] [doi]
    77. Kumar, Pawan, Roy, Somnath and Das, Prasanta Kumar, Stenosis severity and heart rate effects on left coronary artery hemodynamics and myocardial oxygen balance: a comprehensive assessment using pressure gradient, Physics of Fluids 36, 021903, 2024 [html] [doi]
    78. Elahi, Khandakar Md Asif, Bharadwaj, Somnath, Pal, Srijita, Ghosh, Abhik, Ali, Sk Saiyad, Choudhuri, Samir, Chakraborty, Arnab, Datta, Abhirup, Roy, Nirupam, Choudhury, Madhurima and Dutta, Prasun, Towards 21-cm intensity mapping at z = 2.28 with ugmrt using the tapered gridded estimator – iv. wide-band analysis, Monthly Notices of the Royal Astronomical Society 529, 3372-3386, 2024 [html] [doi]
    79. Das, Sudipto, Das, Sahana and Mandal, Sudhansu S, Fractional quantum hall states of the $\mathcal{a}$ phase in the second landau level, Phys. Rev. Lett. 132, 106501, 2024 [html] [doi]
    80. Avijit Sahoo, Gourav Das, Atanu Ghosh, Siddharam Shivappa Bagale, Nishant Kumar Choudhary, S Harikrishna, Surajit Sinha and Kiran R Gore, N3-methyluridine and 2′-o-alkyl/2′-fluoro-n3-methyluridine functionalized nucleic acids improve nuclease resistance while maintaining duplex geometry, Bioorganic & Medicinal Chemistry 100, 117616, 2024 [html] [doi]
    81. Gangopadhyay, Sumit, Das, Gourav, Gupta, Shalini, Ghosh, Atanu, Bagale, Siddharam Shivappa, Roy, Pritam Kumar, Mandal, Mahitosh, Harikrishna, S , Sinha, Surajit and Gore, Kiran R, 4′-c-acetamidomethyl-2′-o-methoxyethyl nucleic acid modifications improve thermal stability, nuclease resistance, potency, and hago2 binding of small interfering rnas, The Journal of Organic Chemistry 0, null, 2024 [html] [doi]
    82. Pal, Ribhu (ঋভু পাল), Roy, Arnab (অর্ণব রায়), Sarkar, Shreyashri (শ্রেয়শ্রী সরকার), Ghoshal, Pratip (প্রতীপ ঘোষাল) and Halder, Pabitra (পবিত্র হালদার), Numerical study of turbulent kinetic energy amplification during shock-wave diffraction, Physics of Fluids 36, 011706, 2024 [html] [doi]
    83. Sarkar, Nandan and Roy, Somnath, Periodic flow features in a planar sudden expansion with pulsatile inflow velocity, Journal of Fluid Mechanics 980, A43, 2024 [html] [doi]
    84. Pijush Karak, Torsha Moitra and Swapan Chakrabarti, Relativistic effects on photodynamical processes, Elsevier, 258-279, 2024 [html] [doi]
    85. Sharma, Abhishek, Singh, Gaurav, Lakkaraju, Rajaram and Atta, Arnab, Hydrodynamics of particle-free and particle-laden laminar flows in sharply bent channels, Physics of Fluids 36, 011705, 2024 [html] [doi]
    86. Roshan Kumar Jha, Ranjeet Kumar, Amlan Dutta and Sumantra Mandal, Implication of site-specific segregation on grain boundary structural transition and deformation response in nanocrystalline ni-nb alloy, Computational Materials Science 233, 112766, 2024 [html] [doi]
    87. Gupta, Deepa, Saha, Probir and Roy, Somnath, Multi-objective optimization of air-cooled perforated micro-pin fin heat sink via an artificial neural network surrogate model coupled with nsga-ii, Journal of Thermal Science and Engineering Applications 16, 2024 [html] [doi]
    88. Shakilur Rahman, Saradindu Saha, Somdeb Bose Dasgupta and Amit Kumar Das, Putative staphylococcal enterotoxin possesses two common structural motifs for mhc-ii binding, International Journal of Biological Macromolecules 256, 128437, 2024 [html] [doi]

    2023

    1. Datta, Deeptayan, Agarwal, Abhishek Kumar, Hu, Han, Chakraborty, Monojit and DasGupta, Sunando, Early-stage liquid infiltration in nanoconfinements, Langmuir:https://doi.org/10.1021/acs.langmuir.2c03154 39, 3301-3311, 2023 [html] [doi]
    2. Ranjini Sarkar and Tarun Kumar Kundu, Combined density functional theory and molecular dynamics analyses on lithium/sodium ion interaction and diffusion in gel polymer electrolytes with poly-vinylidene fluoride scaffold, propylene carbonate/ionic liquid solvent, and perchlorate salt, Materials Today Communications 37, 107311, 2023 [html] [doi]
    3. Kumar Shwetank, Debasis Deb and Ranjan Pramanik, Coupled meshfree (sph) and grid based (fdm) procedures for modeling fluid flow through deformable porous media, International Journal of Rock Mechanics and Mining Sciences 170, 105494, 2023 [html] [doi]
    4. Pranaykumar, Singeetham, Mengu, Dinesh and Prakash, Akshay, Effect of crossflow impinging type throttling mechanism on combustion characteristics of a strut-based scramjet combustor, Aerospace Science and Technology 142, 108648, 2023 [html] [doi]
    5. Prasad, Dipak, Mitra, Nilanjan and Deb, Kousik, Hydrogen and metal–ligand bonds in swelling of smectite clay minerals, The Journal of Physical Chemistry C 127, 20823-20837, 2023 [html] [doi]
    6. Khatun, Maya, Sarkar, Pratik, Panda, Sunanda, Sherpa, Lazumla T and Anoop, Anakuthil, Nanoclusters and nanoalloys of group 13 elements (b, al, and ga): benchmarking of methods and analysis of their structures and energies, Physical Chemistry Chemical Physics 25, 19986-20000, 2023 [html] [doi]
    7. Karak, Pijush, Moitra, Torsha, Ruud, Kenneth and Chakrabarti, Swapan, Photophysics of uracil: an explicit time-dependent generating function-based method combining both nonadiabatic and spin–orbit coupling effects, Phys. Chem. Chem. Phys. 25, 8209-8219, 2023 [html] [doi]
    8. Pandey, Vikash, Mitra, Dhrubaditya and Perlekar, Prasad, Kolmogorov turbulence coexists with pseudo-turbulence in buoyancy-driven bubbly flows, Phys. Rev. Lett. 131, 114002, 2023 [html] [doi]
    9. Majumder, Rabindranath, Karmakar, Soumyajit, Mishra, Sabyashachi, Mallick, Amitava Basu and Das Mukhopadhyay, Chitrangada, Functionalized carbon nano-onions as a smart drug delivery system for the poorly soluble drug carmustine for the management of glioblastoma, ACS Applied Bio Materials 0, null, 0 [html] [doi]
    10. Satyajit Khatua and Srabani Taraphder, Dynamics of an inhibitor at and away from an out-of-active site binding location in human carbonic anhydrase ii, Chemical Physics Impact 7, 100329, 2023 [html] [doi]
    11. Khatua, Satyajit, De Bhowmik, Tanusri and Taraphder, Srabani, A case study on the use of binding free energies to screen inhibitors of human carbonic anhydrase ii, ChemPhysChem 24, e202200770, 2023 [html] [doi]
    12. Shaik, Md Abdus Salam, Samanta, Dipanjan, Sharma, Ankit Kumar, Shaw, Manisha, Prodhan, Sayan, Basu, Rajarshi, Mondal, Imran, Singh, Shailab, Dutta, Prasanta Kumar and Pathak, Amita, White light emission from helically stacked humin-mimic based h-aggregates in heteroatom free carbon dots, Nanoscale, 2023 [html] [doi]
    13. Basak, Arindam, Lakkaraju, Rajaram and Raja Sekhar, G P, Thermocapillary dynamics of a surfactant-laden droplet with internal thermal singularity, Journal of Fluid Mechanics 973, A24, 2023 [html] [doi]
    14. Kar, Prabir Kumar, Chetan, Ujjwal, Kumar, Abhishek, Das, P K and Lakkaraju, Rajaram, Heat transport enhancement and flow transitions in partitioned thermal convection, Phys. Rev. Fluids 8, 043501, 2023 [html] [doi]
    15. Raj, Apurva and Roy, Somnath, Lift characteristics of an airfoil at low reynolds numbers for newtonian and shear-thinning carreau fluids, Physics of Fluids 35, 2023 [html] [doi]
    16. Mohanty, Saransha, Gao, Weibo and Deb, Pritam, Augmented and quenched local moments in a van der waals itinerant moir\'e ferromagnet, Phys. Rev. B 108, 054433, 2023 [html] [doi]
    17. Bora, M, Mohanty, S, Singh, AK, Gao, Weibo and Deb, P, Adaptive half-metallicity via magnetic proximity in an electrically sensitive 1t’-wte2/crbr3 vdw heterostructure, Applied Surface Science 623, 157019, 2023 [html] [doi]
    18. Singh, Anil Kumar, Gao, Weibo and Deb, Pritam, Tunable long-range spin transport in a van der waals fe 3 gete 2/wse 2/fe 3 gete 2 spin valve, Physical Chemistry Chemical Physics, 2023 [html] [doi]
    19. Sk, Md Raja, Bhattacharyya, Arya, Saha, Shuvendu, Brahma, Arpita and Maji, Modhu Sudan, Annulative π-extension by rhodium(iii)-catalyzed ketone-directed c−h activation: rapid access to pyrenes and related polycyclic aromatic hydrocarbons (pahs), Angewandte Chemie International Edition 62, e202305258, 2023 [html] [doi]
    20. Mondal, Haripriyo, Patra, Subimal, Saha, Shuvendu, Nayak, Tarak, Sengupta, Uddalak and Sudan Maji, Modhu, Late-stage halogenation of peptides, drugs and (hetero)aromatic compounds with a nucleophilic hydrazide catalyst, Angewandte Chemie International Edition 62, e202312597, 2023 [html] [doi]
    21. Bhattacharyya, Arya, Sk, Md Raja, Sen, Supreeta, Kundu, Samrat and Maji, Modhu Sudan, Annulative π-extension by cp*co(iii)-catalyzed ketone-directed peri-annulation: an approach to access fused arenes, Organic Letters 25, 8622-8627, 2023 [html] [doi]
    22. Saha, Subhajit, Khamrui, Sudipta, Moi, Rajib, Anoop, Anakuthil, Chernyshev, Vladimir V , Banerjee, Debamalya and Biradha, Kumar, Photochromism and photomagnetism in 1,4-bis(4,5-diphenyl-imidazolyl)benzene chromophores: water-assisted π-stacks for the generation of stable free radicals in the solid state, ACS Applied Optical Materials 0, null, 2023 [html] [doi]
    23. Rituparna Saha, Gourab Bhattacharje, Soumya De and Amit Kumar Das, Deciphering the conformational stability of maze7 antitoxin in mycobacterium tuberculosis from molecular dynamics simulation study, Journal of Biomolecular Structure and Dynamics 0, 1-17, 2023 [html] [doi]
    24. Kumar, Debajyoti and Roy, Somnath, 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, Physics of Fluids 35, 2023 [html] [doi]
    25. Subrata Kumar Padhan, Sunita Muduli, Narayan Murmu, Gokarneswar Sahoo, Sabyashachi Mishra and 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, Journal of Molecular Liquids 384, 122292, 2023 [html] [doi]
    26. Pati, Subir K , Patra, Dhananjaya, Muduli, Sunita, Mishra, Sabyashachi and Park, Sungjune, Energy storage application of conducting polymers featuring dual acceptors: exploring conjugation and flexible chain length effects, Small 19, 2300689, 2023 [html] [doi]
    27. Muduli, Sunita and Mishra, Sabyashachi, Ligands-induced open-close conformational change during dape catalysis: insights from molecular dynamics simulations, Proteins: Structure, Function, and Bioinformatics 91, 2023 [html] [doi]
    28. Patra, Dhananjaya, Zhan, Xin, Linthoinganbi, Rajkumari, Muduli, Sunita, Mishra, Sabyashachi, Liu, Yao and Park, Sungjune, Synthesis and application of dual electron-deficient featured copolymers and their sequential fluorination for ambipolar organic thin film transistors, J. Mater. Chem. C 11, 1457-1463, 2023 [html] [doi]
    29. Ghosh, Meghna, Parida, Sanjukta, Khatoon, Huma, Bera, Nanigopal, Mishra, Sabyashachi and Sarkar, Nilmoni, Excited state photophysics of curcumin and its modulation in alkaline non-aqueous medium, ChemPhysChem 24, e202300174, 2023 [html] [doi]
    30. Battula, Himabindu, Nath, Moromi, Mishra, Sabyashachi and Jayanty, Subbalakshmi, Spirocyclic rhodamine b benzoisothiazole derivative: a multi-stimuli fluorescent switch manifesting ethanol-responsiveness, photo responsiveness, and acidochromism, RSC advances 13, 2023 [html] [doi]
    31. Dakua, Kishan Kumar, Rajak, Karunamoy and Mishra, Sabyashachi, The interplay of vibronic and spin--orbit coupling in the fluorescence quenching in trans-dithionated pdi, J. Chem. Phys.,volume={159, 2023 [html] [doi]
    32. Dey, Saumava, Dhar, Anirban, Applicability of zero-inertia approximation for overland flow using a generalized mass-conservative implicit finite volume framework, Journal Hydrologic Engineering 29, 2023 [html] [doi]
    33. Pradhan, Swagatika, Thaker, Parth and Ghosh, Somnath, Analysis of the dominant structures of an impinging round jet at m=0.9, AIAA Journal 0, 2023 [html] [doi]
    34. Shakilur Rahman and Amit Kumar Das, Staphylococcal superantigen-like protein 10 enhances the amyloidogenic biofilm formation in staphylococcus aureus, BMC Microbiology 23, 390, 2023 [html] [doi]
    35. Shakilur Rahman, Kasturi Sarkar and Amit Kumar Das, Exploring staphylococcal superantigens to design a potential multi-epitope vaccine against staphylococcus aureus: an in-silico reverse vaccinology approach, Journal of Biomolecular Structure and Dynamics 41, 13098-13112, 2023 [html] [doi]
    36. Kumar, Ch Narendra and Sinhamahapatra, KP, Numerical study on mixing characteristics of symmetrical and asymmetrical twin jets, Journal of Mechanical Science and Technology, 1-11, 2023 [html] [doi]
    37. N Sunanda, J Kuttippurath, A Chakraborty and R Peter, Stressors of primary productivity in the north indian ocean revealed by satellite, reanalysis and cmip6 data, Progress in Oceanography 219, 103164, 2023 [html] [doi]
    38. Sankalp Biswal, Rakesh Kumar Barik, Suman Neogy, Raghvendra Tewari, Amlan Dutta and Debalay Chakrabarti, Unravelling the mechanisms of copper precipitation-induced strengthening in austenitic stainless steels: an atomistic approach, Materialia 32, 101962, 2023 [html] [doi]
    39. Shreya Banerjee, Ranabir Majumder, Budhaditya Mukherjee and Mahitosh Mandal, Selective ada2 inhibition for enhancing anti-tumor immune response in glioma: insights from computational screening of flavonoid compounds, International Journal of Biological Macromolecules 253, 127453, 2023 [html] [doi]
    40. Pramanick, Rohan, Ray, Tirtha Sankar and Shaw, Avirup, Neutrino mass and leptogenesis in a hybrid seesaw model with a spontaneously broken cp, JHEP 06, 099, 2023 [html] [doi]
    41. Pal, Ribhu, Roy, Arnab and Halder, P, Numerical studies of shock-vortex interaction over a wedge during shock-wave diffraction - a new approach (selected as editor's pick), Physics of Fluids 35 (10), 106106-01-106106-16, 2023 [html] [doi]
    42. Kumar Anjneya and Arghya Deb, Uncertainty propagation in discrete element models using pdem, Structures 57, 105326, 2023 [html] [doi]
    43. Krishnendu Buxi, Sandip Kumar Kuila, Ahin Roy and Partha Pratim Jana, Atomic distributions of ag and in in the γ-brass type ag9in4, Journal of Solid State Chemistry 327, 124247, 2023 [html] [doi]
    44. Kuila, Sandip K, Harshit, Roy, Nilanjan, Ghanta, Sivaprasad, Pan, Rahul, Buxi, Krishnendu, Pramanik, Parna, Bera, Anup K, Saha, Bikash, Yusuf, Seikh M and others, Ni3insb: synthesis, crystal structure, electronic structure, and magnetic properties, Inorganic Chemistry 62, 7304-7314, 2023 [html] [doi]
    45. Parth Thaker,Joseph Mathew,Somnath Ghosh, Invariants of the velocity gradient tensor in a spatially developing compressible round jet, Journal of Fluid Mechanics 971, 0-0, 2023 [html] [doi]
    46. Boral, Soumendu, Sen, Srijon, Kushwaha, Tushar, Inampudi, Krishna K and De, Soumya, Extein residues regulate the catalytic function of spl dnax intein enzyme by restricting the near-attack conformations of the active-site residues, Protein Science 32, e4699, 2023 [html] [doi]
    47. Lalit Kumar and Mohammad Saud Afzal, Experimental and numerical modelling of scour at vertical wall abutment under combined wave-current flow in low kc regime, Ocean Engineering 285, 115394, 2023 [html] [doi]
    48. Kumar, Lalit and Afzal, Mohammad Saud, Numerical simulations of scour around vertical wall abutments with varying aspect ratios under combined waves and current flows, Journal of Marine Science and Engineering 11, 1886, 2023 [html] [doi]
    49. Mundhra, Raghav, Lakkaraju, Rajaram, Das, Prasanta Kumar, Pakhomov, Maksim A and Lobanov, Pavel D, Effect of wall proximity and surface tension on a single bubble rising near a vertical wall, Water 15, 2023 [html] [doi]
    50. Sharma, Abhishek, Lakkaraju, Rajaram and Atta, Arnab, Insight into the particle-laden turbulent flow statistics in sharply bent channels, Physics of Fluids 35, 095142, 2023 [html] [doi]
    51. Sharma, Abhishek, Lakkaraju, Rajaram and Atta, Arnab, Influence of channel bend angle on the turbulent statistics in sharply bent channel flows, Physics of Fluids 35, 055102, 2023 [html] [doi]
    52. Das Shuvankar, Chakraborty Debarghya, Effect of surface crack and undercut on the stability of cliff, Theoretical and Applied Fracture Mechanics 127, 104018, 2023 [html] [doi]
    53. Pal, Arijit, Biswas, Souvik, Chaudhury, Koel and Das, Soumen, Paper sensor modified with mos2 for detection of dopamine using a machine-intelligent web app interface, ACS Applied Materials \& Interfaces 15, 43060-43074, 2023 [html] [doi]
    54. Elahi, Kh Md Asif, Bharadwaj, Somnath, Pal, Srijita, Ghosh, Abhik, Ali, Sk Saiyad, Choudhuri, Samir, Chakraborty, Arnab, Datta, Abhirup, Roy, Nirupam, Choudhury, Madhurima and Dutta, Prasun, Towards 21-cm intensity mapping at z = 2.28 with ugmrt using the tapered gridded estimator – iii. foreground removal, Monthly Notices of the Royal Astronomical Society 525, 3439-3454, 2023 [html] [doi]
    55. Rakesh Kumar Barik, Sankalp Biswal, Khilesh Kumar Bhandari, Abhijit Ghosh and Debalay Chakrabarti, Micromechanics of cleavage fracture and the associated tongue formation in ferritic steel, Materials Science and Engineering: A 885, 145616, 2023 [html] [doi]
    56. Rahman, Shakilur, Nath, Subham, Mohan, Utpal and Das, Amit Kumar, Targeting staphylococcal cell–wall biosynthesis protein femx through steered molecular dynamics and drug-repurposing approach, ACS Omega 8, 29292-29301, 2023 [html] [doi]
    57. Das, Sudipto, Das, Sahana and Mandal, Sudhansu S, Anomalous reentrant $5/2$ quantum hall phase at moderate landau-level-mixing strength, Phys. Rev. Lett. 131, 056202, 2023 [html] [doi]
    58. Joshi, Shalini, Roy Chowdhury, Sabyasachi and Mishra, Sabyashachi, Spin-state energetics and magnetic anisotropy in penta-coordinated fe(iii) complexes with different axial and equatorial ligand environments, Phys. Chem. Chem. Phys. 25, 17680-17691, 2023 [html] [doi]
    59. Kumar, Naveen, Chaudhuri, Abhirup, Arya, Vinay, Bakli, Chirodeep and Bera, Chandan, Significantly reduced thermal conductivity and enhanced thermoelectric performance of twisted bilayer graphene, Journal of Applied Physics 134, 044301, 2023 [html] [doi]
    60. Amarjeet Vineet Sharma Chhavi P Pandey Anil K Gupta Arun Chakraborty, Study of moisture flux over uttarakhand state: signature of cloud bursts, Climate Dynamics , , 2023 [html] [doi]
    61. Bera, Sudharanjan, Banerjee, Flora and Samanta, Suman Kalyan, Bowl-shaped phosphate-based polymer nanocontainers loaded with pd nanoparticles for catalytic c–c coupling reactions, ACS Applied Nano Materials 0, null, 2023 [html] [doi]
    62. Bera, Sudharanjan, Banerjee, Flora and Samanta, Suman Kalyan, A phosphate-based organic polymer nanocontainer efficiently hosts ag/ru nanoparticles for heterogeneous catalytic reduction of nitroaromatics and oxidation of benzyl alcohols, ChemNanoMat 9, e202300088, 2023 [html] [doi]
    63. Banerjee, Flora and Samanta, Suman Kalyan, Hierarchical porous organic polymers via the in situ construction of the binol entity: versatile and efficacious adsorbents for multiple industrial toxic contaminants in water, Mater. Chem. Front. 7, 689-697, 2023 [html] [doi]
    64. Sarkar, Subharthi, Maity, Subhra Sekhar and Maity, Rajib, Precipitation-based climate change hotspots across india through a multi-model assessment from cmip6, Journal of Hydrology, 129805, 2023 [html] [doi]
    65. Padhan, Manas Kumar and Mitra, Mira, Effect of grain size distribution of polycrystalline microstructure on in-plane wave propagation, Waves in Random and Complex Media, 1-17, 2023 [html] [doi]
    66. Prabir Sikdar, Sunil Manohar Dash and Kalyan Prasad Sinhamahapatra, A flexible forcing immersed boundary scheme-based one-step simplified lattice boltzmann method for two-dimensional fluid-solid interaction problems, Computers & Fluids 265, 105996, 2023 [html] [doi]
    67. Prasad, Dipak and Mitra, Nilanjan, Catalytic behavior of hydrogen bonded water in oligomerization of silicates, Inorganic Chemistry 62, 1423-1436, 2023 [html] [doi]
    68. Singh, Harshdeep, Majumder, Sonjoy and Mishra, Sabyashachi, Benchmarking of different optimizers in the variational quantum algorithms for applications in quantum chemistry, The Journal of Chemical Physics 159, 044117, 2023 [html] [doi]
    69. Saboo, Arpana, Halder, Soumyadeep, Das, Subrata and Majumder, Sonjoy, Rayleigh-taylor instability in a phase-separated three-component bose-einstein condensate, Phys. Rev. A 108, 013320, 2023 [html] [doi]
    70. Goswami, Debpriyo, Patra, Shanti Gopal and Ray, Debashis, Magneto-structural analysis of hydroxido-bridged cuii2 complexes: density functional theory and other treatments, Magnetochemistry 9, 2023 [html] [doi]
    71. Halder, Soumyadeep, Das, Subrata and Majumder, Sonjoy, Two-dimensional miscible-immiscible supersolid and droplet crystal state in a homonuclear dipolar bosonic mixture, Phys. Rev. A 107, 063303, 2023 [html] [doi]
    72. Kumar, P Pavan, Agrawal, Asutosh, Nayak, Debasis, Biswas, Koushik, Ghosh, Sudipto and Kundu, Tarun Kumar", A comprehensive diffusion-induced stress coupled multiscale modeling and analysis in hard-carbon electrodes of li-ion batteries", Phys. Chem. Chem. Phys., 2023 [html] [doi]
    73. Apurva Raj, Piru Mohan Khan, Md Irshad Alam, Akshay Prakash and Somnath Roy, A gpu-accelerated sharp interface immersed boundary method for versatile geometries, Journal of Computational Physics 478, 111985, 2023 [html] [doi]
    74. Piru Mohan Khan, Apurva Raj, Md Irshad Alam, Suman Chakraborty and Somnath Roy, Prediction of vortex structures in pulsatile flow through s-bend arterial geometry with different stenosis levels, Biocybernetics and Biomedical Engineering 43, 298-312, 2023 [html] [doi]
    75. Khan, Piru Mohan, Sharma, Siddharth D , Chakraborty, Suman and Roy, Somnath, Effect of heart rate on the hemodynamics in healthy and stenosed carotid arteries, Physics of Fluids 35, 061906, 2023 [html] [doi]
    76. Nirmalya Podder, Anannya Saha, Suman K Barman and 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, Dalton Transactions , , 2023 [html] [doi]
    77. Garad, Suraj, Bhattacharyya, Anirban and Datta, Ranadev, Numerical investigations of water column responses at different moonpool locations within a fixed vessel, Journal of Offshore Mechanics and Arctic Engineering 146, 012002, 2023 [html] [doi]
    78. Pal, Tamisra, Sahoo, Subhadip, Ghanta, Krishna Prasad and Bandyopadhyay, Sanjoy, Exploring the heterogeneous dynamical environment at the interface of aβ42 peptide in aqueous ionic liquid solution, The Journal of Physical Chemistry B 127, 5808-5820, 2023 [html] [doi]
    79. Vineeta Shukla, Pausali Nandi and Sanjeev K Srivastava, Charge transfer, electronic transport and magnetic properties of cu1−xnix/reduced graphene oxide nanocomposites, Carbon 212, 118102, 2023 [html] [doi]
    80. Sharma, Debojit, Garnayak, Subrat, Bandopadhyay, Aditya, Dash, SK and Vanteru, Mahendra Reddy, Influence of jet velocity and heat recuperation on the flame stabilization in a non-premixed mesoscale combustor: an exergetic approach, Physics of Fluids 35, 2023 [html] [doi]
    81. Sridhar Sahoo and Dhananjay Kumar Srivastava, Numerical analysis of performance, combustion, and emission characteristics of pfi gasoline, pfi cng, and di cng engine, Energy 278, 127749, 2023 [html] [doi]
    82. Mondal, Sourav, Ballav, Tamal, Mohammad, Tofayel Sheikh and Ganesh, Venkataraman, Bis-benzofulvenes: synthesis and studies on their optoelectronic properties, Organic Letters 25, 3941-3945, 2023 [html] [doi]
    83. Mahto, Madhusudan Kr , Samanta, Dipanjan, Shaw, Manisha, Shaik, Md Abdus Salam, Basu, Rajarshi, Mondal, Imran, Bhattacharya, Angana and Pathak, Amita, Blue-emissive nitrogen-doped carbon dots for picric acid detection: molecular fluorescence quenching mechanism, ACS Applied Nano Materials 6, 8059-8070, 2023 [html] [doi]
    84. Swapnadip De Chowdhury , Jian Guo Zhou , Anatoliy Khait , Tim Pullen , Derek Causon , Ling Qian and Clive Mingham, Wind effects on wave overtopping at a vertical sea defense, Journal of Waterway, Port, Coastal, and Ocean Engineering 149, 04023010, 2023 [html] [doi]
    85. Rakesh Kumar Barik, Sankalp Biswal, Amlan Dutta, Debalay Chakrabarti and Abhijit Ghosh, Effect of solute distribution on the screw dislocation motion in bcc fe-based systems, Computational Materials Science 226, 112211, 2023 [html] [doi]
    86. Banerjee, Subhadeep, Narwal, Ankita, Reddy, Sandeep K and Yamijala, Sharma S R K C, Promising anode materials for alkali metal ion batteries: a case study on cobalt anti-mxenes, Phys. Chem. Chem. Phys. 25, 11789-11804, 2023 [html] [doi]
    87. Elahi, Kh Md Asif, Bharadwaj, Somnath, Ghosh, Abhik, Pal, Srijita, Ali, Sk Saiyad, Choudhuri, Samir, Chakraborty, Arnab, Datta, Abhirup, Roy, Nirupam, Choudhury, Madhurima and Dutta, Prasun, 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 520, 2094-2108, 2023 [html] [doi]
    88. Vishwakarma, Gaurav, Malla, Bijesh K , Reddy, K S S V Prasad, Ghosh, Jyotirmoy, Chowdhury, Soham, Yamijala, Sharma S R K C , Reddy, Sandeep K , Kumar, Rajnish and Pradeep, Thalappil, Induced migration of co2 from hydrate cages to amorphous solid water under ultrahigh vacuum and cryogenic conditions, The Journal of Physical Chemistry Letters 14, 2823-2829, 2023 [html] [doi]
    89. Goudar, Soujanya H , Ingle, Dhiraj S , Sahu, Rahul, Kotha, Srinu, Reddy, Sandeep K , Babu, Deepu J and Kotagiri, Venkata Rao, Perylene diimide-containing dynamic hyper-crosslinked ionic porous organic polymers: modulation of assembly and gas storage, ACS Applied Polymer Materials 5, 2097-2104, 2023 [html] [doi]
    90. Khatun, Maya, Paul, Sayan, Roy, Saikat, Dey, Subhasis and Anoop, Anakuthil, Performance of density functionals and semiempirical 3c methods for small gold–thiolate clusters, The Journal of Physical Chemistry A 127, 2242-2257, 2023 [html] [doi]
    91. Mondal, Souvik, Ghanta, Krishna Prasad and Bandyopadhyay, Sanjoy, Microscopic understanding of the conformational stability of the aggregated nonamyloid β components of α-synuclein, Journal of Chemical Information and Modeling:https://doi.org/10.1021/acs.jcim.2c01540 63, 1542-1555, 2023 [html] [doi]
    92. Yadav, Renu, Sebbah, Patrick, Brundavanam, Maruthi M and Bhaktha B N , Shivakiran, Tracking nanoscale perturbation in active disordered media, Phys. Rev. A 107, 023513, 2023 [html] [doi]
    93. Srijeet Tripathy, Avik Sett, Santanab Majumder and Tarun Kanti Bhattacharyya, Study of gate induced sensitivity amplification in carbon nanotube thin film transistor based ammonia sensor, Sensors and Actuators B: Chemical 382, 133511, 2023 [html] [doi]
    94. Jyoti Upadhyay, Swayam Prabha Misra, Silvia Irusta, Sudhanshu Sharma and Parag A Deshpande, Oxidation of aldehydes to carboxylic acids over geopolymer supported cuo, Molecular Catalysis 536, 112911, 2023 [html] [doi]
    95. Roshan Kumar Jha, Pallabi Bhuyan, Sumantra Mandal and Snehanshu Pal, Insights into the role of nb segregation on grain boundary structural transition and mechanical response in a ni–nb system, Materials Chemistry and Physics 299, 127531, 2023 [html] [doi]
    96. Bapi Mondal, Damodar Maity and Puneet Kumar Patra, Load and resistance factor design for bamboo reinforced concrete beam in ultimate flexural limit state, Structural Safety 102, 102323, 2023 [html] [doi]
    97. Atri Nath, Aninda Pal, Prabhakar Akurati, Ritwik Ghoshal and Nilanjan Mitra, Shark skin biomimetic surface modification for plates: influence on free vibration response, Mechanics Based Design of Structures and Machines 0, 1-24, 2023 [html] [doi]
    98. Shakilur Rahman, Kasturi Sarkar and Amit Kumar Das, Exploring staphylococcal superantigens to design a potential multi-epitope vaccine against staphylococcus aureus: an in-silico reverse vaccinology approach, Journal of Biomolecular Structure and Dynamics 0, 1-15, 2023 [html] [doi]
    99. K Krishnan and Debarghya Chakraborty, Probabilistic seismic passive resistance of hunchback retaining wall considering spatial variability, Computers and Geotechnics 154, 105154, 2023 [html] [doi]
    100. Sahu, Balram and Srivastava, Dhananjay Kumar, "{a numerical study on spray combustion and emissions characteristics of n-heptane, dimethyl ether, and their blends in a constant volume combustion chamber 145, 2023 [html] [doi]

    2022

    1. Karak, Pijush, Ruud, Kenneth and Chakrabarti, Swapan, Spin-vibronic interaction induced reverse intersystem crossing: a case study with txo-tpa and txo-phcz molecules, The Journal of Chemical Physics 157, 174101, 2022 [html] [doi]
    2. Kar, Prabir Kumar, Chetan, Ujjwal, Mahato, Jagannath, Sahu, Toshan Lal, Das, P K and Lakkaraju, Rajaram, Heat flux enhancement by regular surface protrusion in partitioned thermal convection, Physics of Fluids 34, 127105, 2022 [html] [doi]
    3. Sahu, Toshan Lal, Chetan, Ujjwal, Mahato, Jagannath, Kar, Prabir Kumar, Das, Prasanta Kumar and Lakkaraju, Rajaram, Formation and breakup of twisting ligaments in a viscous swirling liquid jet, Physics of Fluids 34, 112118, 2022 [html] [doi]
    4. Dakua, Kishan Kumar, Rajak, Karunamoy and Mishra, Sabyashachi, Spin--vibronic coupling in the quantum dynamics of a fe (iii) trigonal-bipyramidal complex, The Journal of Chemical Physics 156, 2022 [html] [doi]
    5. Shalini Singh and P V S N Murthy, Unsteady solute dispersion in pulsatile luo and kuang blood flow (k - l model) in a tube with wall reactive absorption, Journal of Non-Newtonian Fluid Mechanics 310, 104928, 2022 [html] [doi]
    6. Podder, Nirmalya, Dey, Subhasis, Anoop, Anakuthil and Mandal, Sukanta, Oxygenolysis of a series of copper(ii)-flavonolate adducts varying the electronic factors on supporting ligands as a mimic of quercetin 2{,}4-dioxygenase-like activity, Dalton Trans. 51, 2022 [html] [doi]
    7. Das Shuvankar Chakraborty Debarghya, Effect of undercut on the lower bound stability of vertical rock escarpment using finite element and power cone programming, Frontiers of Structural and Civil Engineering 16, 1040-1055, 2022 [html] [doi]
    8. Prasad, Yogeshwar and Garg, Arti, Initial state dependent dynamics across the many-body localization transition, Phys. Rev. B 105, 214202, 2022 [html] [doi]
    9. Panda, Sunanda, Sivadasan, Devipriya, Job, Nisha, Sinjari, Aland, Thirumoorthy, Krishnan, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Why are mgc3h isomers missing in the interstellar medium?, The Journal of Physical Chemistry A 126, 4465-4475, 2022 [html] [doi]
    10. Rai, Divya, Khatua, Satyajit and Taraphder, Srabani, Structure and dynamics of the isozymes ii and ix of human carbonic anhydrase, ACS Omega 7, 31149-31166, 2022 [html] [doi]
    11. 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 and Tobin Filleter, Mechanical reliability of monolayer mos2 and wse2, Matter 5, 2975-2989, 2022 [html] [doi]
    12. Mayuri Bora and Pritam Deb, Proximity induced longitudinal and transverse thermoelectric response in graphene-ferromagnetic crbr3 vdw heterostructure, Journal of Physics: Condensed Matter 35, 055402, 2022 [html] [doi]
    13. Roy Karmakar, Abhirup, Nandy, S , Taraphder, A and Das, G P, Giant anomalous thermal hall effect in tilted type-i magnetic weyl semimetal ${\text{co}}_{3}{\text{sn}}_{2}{\text{s}}_{2}$, Phys. Rev. B 106, 245133, 2022 [html] [doi]
    14. Roy, Saikat and Anoop, Anakuthil, Insights into the active catalyst formation from dinuclear palladium acetate in pd-catalyzed coupling reactions: a dft study, The Journal of Physical Chemistry A 126, 8562-8576, 2022 [html] [doi]
    15. Ghanta, Krishna Prasad, Mondal, Sandip and Bandyopadhyay, Sanjoy, Exploring the dynamic heterogeneity at the interface of a protein in aqueous ionic liquid solutions, The Journal of Physical Chemistry B 126, 7271-7285, 2022 [html] [doi]
    16. Khatua, Prabir, Gupta, Madhulika and Bandyopadhyay, Sanjoy, Exploring heterogeneous dynamical environment around an ensemble of aβ42 peptide monomer conformations, Journal of Chemical Information and Modeling 62, 3453-3462, 2022 [html] [doi]
    17. Pradeep Kumar Yadav, Saroj Kumari, Uppari Naveena, Parag A Deshpande and Sudhanshu Sharma, Insights into the substitutional chemistry of la1−xsrxco1−ymyo3 (m = pd, ru, rh, and pt) probed by in situ drifts and dft analysis of co oxidation, Applied Catalysis A: General 643, 118768, 2022 [html] [doi]
    18. Phanikumar Pentyala, Vibhuti Singhania, Vinay Kumar Duggineni and Parag A Deshpande, Machine learning-assisted dft reveals key descriptors governing the vacancy formation energy in pd-substituted multicomponent ceria, Molecular Catalysis 522, 112190, 2022 [html] [doi]
    19. K S S V Prasad Reddy and Parag A Deshpande, Dft reveals the support effects in pd nanoclusters over defect-ridden graphene for the oxidative addition of bromobenzene, Molecular Catalysis 521, 112205, 2022 [html] [doi]
    20. Snigdha Dey, Saroj Kumari and Parag A Deshpande, A dft analysis unravelling hydrogen sorption pathways in laves phase cu2cd, Applied Surface Science 605, 154721, 2022 [html] [doi]
    21. K S S V Prasad Reddy and Parag A Deshpande, Dft + u analysis of the stability of pdn/ceo2−δ (n=3,4), Applied Surface Science 589, 152948, 2022 [html] [doi]
    22. Halder, S , Mukherjee, K , Mistakidis, S I , Das, S , Kevrekidis, P G , Panigrahi, P K , Majumder, S and Sadeghpour, H R, Control of $^{164}\mathrm{dy}$ bose-einstein condensate phases and dynamics with dipolar anisotropy, Phys. Rev. Research 4, 043124, 2022 [html] [doi]
    23. Sahoo, Sridhar and Srivastava, Dhananjay Kumar, Experimental study on effect of injection timing on pfi gasoline, pfi cng, and di cng engine performance, combustion, and emissions characteristics, Journal of Engineering for Gas Turbines and Power, 1-26, 2022 [html] [doi]
    24. Tamisra Pal, Subhadip Sahoo, Krishna Prasad Ghanta and Sanjoy Bandyopadhyay, Computational investigation of conformational fluctuations of aβ42 monomers in aqueous ionic liquid mixtures, Journal of Molecular Liquids 368, 120779, 2022 [html] [doi]
    25. Gangadhar VRP, A numerical study on the negative lift and point of non-linearity in lift curve of naca 0012 airfoil at low reynolds number, Proceedings of the Joint Conference of the ICTACEM, APCATS, AJSAE, and AESI 2021 , 40, 2022 [html] [doi]
    26. Mishra, Arpit, Bourquard, Claire, Roy, Arnab, Lakkaraju, Rajaram, Ghosh, Parthasarathi and Supponen, Outi, Flow focusing from interacting cavitation bubbles, Phys. Rev. Fluids 7, 110502, 2022 [html] [doi]
    27. Bomjan Gurung, Bikalpa and Saha, Sandeep, Aerodynamic efficiency enhancement of delta wings for micro air vehicles using shape-optimization, Journal of Aircraft 0, 1-12, 2022 [html] [doi]
    28. Manas Kumar Padhan and Mira Mitra, Study of in-plane wave propagation in 2-d polycrystalline microstructure, Mechanics of Advanced Materials and Structures 0, 1-13, 2022 [html] [doi]
    29. Periyal, Arun, Ghoshal, Ritwik and Joshi, Vaibhav, A numerical investigation on flow induced vibration of flexible risers in tandem arrangements Volume 3: Materials Technology; Pipelines, Risers, and Subsea Systems, 2022 [html] [doi]
    30. Saha, Shuvendu and Maji, Modhu Sudan, Cp*co(iii)-catalyzed thiocarbamate-directed c–h aminocarbonylation{,} amination{,} and cascade annulation of pyrroles, Chem. Commun. 58, 10865-10868, 2022 [html] [doi]
    31. Pal, Srijita, Elahi, Kh Md Asif, Bharadwaj, Somnath, Ali, Sk Saiyad, Choudhuri, Samir, Ghosh, Abhik, Chakraborty, Arnab, Datta, Abhirup, Roy, Nirupam, Choudhury, Madhurima and Dutta, Prasun, Towards 21-cm intensity mapping at z = 2.28 with ugmrt using the tapered gridded estimator i: foreground avoidance, Monthly Notices of the Royal Astronomical Society 516, 2022 [html] [doi]
    32. Sanjukta Parida, Sanjib K Patra and Sabyashachi Mishra, Self-assembling behaviour of perylene, perylene diimide, and thionated perylene diimide deciphered through non-covalent interactions, ChemPhysChem, 2022 [html] [doi]
    33. Prasad, Dipak and Mitra, Nilanjan, Silica dimerization in the presence of divalent cations, Phys. Chem. Chem. Phys. 24, 21308-21320, 2022 [html] [doi]
    34. Kag,Vijay , Seshasayanan,Kannabiran and Gopinath,Venkatesh, Physics-informed data based neural networks for two-dimensional turbulence, Physics of Fluids 34, 055130, 2022 [html] [doi]
    35. Ghosh, Suman, Chakrabortty, Rajesh, Kumar, Shailendra, Das, Aniruddha and Ganesh, Venkataraman, Copper-catalyzed protoboration of 1,3-diynes as a platform for iterative functionalization, ACS Catalysis 12, 11660-11666, 2022 [html] [doi]
    36. Das, Gourav, Harikrishna, S and Gore, Kiran R, Influence of sugar modifications on the nucleoside conformation and oligonucleotide stability: a critical review, The Chemical Record:https://onlinelibrary.wiley.com/doi/pdf/10.1002/tcr.202200174 n/a, 2022 [html] [doi]
    37. Shakilur Rahman and Amit Kumar Das, A subtractive proteomics and immunoinformatics approach towards designing a potential multi-epitope vaccine against pathogenic listeria monocytogenes, Microbial Pathogenesis 172, 105782, 2022 [html] [doi]
    38. Ray, Tirtha Sankar, Sarkar, Sambo and Shaw, Abinash Kumar, Constraints on dark matter self-interaction from galactic core size, JCAP 09, 011, 2022 [html] [doi]
    39. Rashika Singh, Prasun Kundu, Gourab Bhattacharje, Amit Kumar Das, Mycobacterium tuberculosis low molecular weight t-cell antigen mtb8.4 has heme-binding and fiber-forming properties, FEBS Letters , 1-18, 2022 [html] [doi]
    40. Sarkar, Subharthi and Maity, Rajib, Future characteristics of extreme precipitation indicate the dominance of frequency over intensity: a multi-model assessment from cmip6 across india, Journal of Geophysical Research: Atmospheres 127, e2021JD035539, 2022 [html] [doi]
    41. Himabindu Battula, Sunita Muduli, Sony Priyanka Bandi, Shristy Kapoor, Sabyashachi Mishra, Himanshu Aggarwal, Venkata Vamsi krishna Venuganti and Subbalakshmi Jayanty, Selective and swift-responsive off-on rhodamine b based chemosensors: recognition of multi-metal ions, on-site sensing of fe({iii}) in water samples and bioimaging in aqueous media 426, 113748, 2022 [html] [doi]
    42. Amit Sil, Sourav Saha Roy, Vipin Kumar Mishra, Sk Najmul Islam, Sabyashachi Mishra and Sanjib K Patra, Modulation of electrochemical and spectroscopic properties in ru({ii})-terpyridyl end-capped homobimetallic organometallic complexes by varying $\uppi$-conjugated organic spacers 7, 2022 [html] [doi]
    43. Kishan Kumar Dakua, Karunamoy Rajak and Sabyashachi Mishra, Spin{\textendash}vibronic coupling in the quantum dynamics of a fe({iii}) trigonal-bipyramidal complex 156, 134103, 2022 [html] [doi]
    44. Subhankar Mandal, Rudra N Samajdar, Sanjukta Parida, Sabyashachi Mishra and Aninda J Bhattacharyya, Transition metal phthalocyanines as redox mediators in li{\textendash}o$\less$sub$\greater$2$\less$/sub$\greater$ batteries: a combined experimental and theoretical study of the influence of 3d electrons in redox mediation 14, 2022 [html] [doi]
    45. Das, Prasenjit, Khatun, Maya, Anoop, Anakuthil and Chattaraj, Pratim Kumar, Csinge4−n2+ (n = 1–3): prospective systems containing planar tetracoordinate carbon (ptc), Phys. Chem. Chem. Phys. 24, 2022 [html] [doi]
    46. Ray, Rohit Kishan, Steepest entropy ascent solution for a continuous-time quantum walker, Phys. Rev. E 106, 024115, 2022 [html] [doi]
    47. Bhattacharje, Gourab, Ghosh, Amit and Das, Amit Kumar, Understanding the mannose transfer mechanism of mycobacterial phosphatidyl-myo-inositol mannosyltransferase a from molecular dynamics simulations, ACS Omega 7, 19288-19304, 2022 [html] [doi]
    48. Das, Subrata, Mukherjee, Koushik and Majumder, Sonjoy, Vortex formation and quantum turbulence with rotating paddle potentials in a two-dimensional binary bose-einstein condensate, Phys. Rev. A 106, 023306, 2022 [html] [doi]
    49. Kumar, Shashi and Deshpande, Parag A, Efficient proton shuttle makes sazca an excellent co2 hydration enzyme, Journal of Biomolecular Structure and Dynamics, 1-10, 2022 [html] [doi]
    50. Prasad, Dipak and Mitra, Nilanjan, Surface reactivity of cementitious crystals alite and belite, The Journal of Physical Chemistry C 126, 11265-11276, 2022 [html] [doi]
    51. Gupta, Deepa, Saha, Probir and Roy, Somnath, "{multi-objective optimization of the perforated micro pin-fin heat sink using non-dominated sorting genetic algorithm-ii coupled with computational fluid dynamics simulation 144, 2022 [html] [doi]
    52. Kumar, Rajesh, Iyer, Saisanthosh G, Prudhvi, Narne and Ghosh, Amardip, Mode transition in a strut based dual-mode scramjet combustor, 3863, 2022 [html]
    53. Gourab Bhattacharje, Amit Ghosh and Amit Kumar Das, In-silico identification of critical residues in the mannose-transfer mechanism of phosphatidyl-myo-inositol mannosyltransferase b′, Biochemical and Biophysical Research Communications 621, 14-19, 2022 [html] [doi]
    54. Saransha Mohanty and Pritam Deb, Nontrivial band topology coupled thermoelectrics in VSe2/MoSe2 van der waals magnetic weyl semimetal, Journal of Physics: Condensed Matter 34, 335801, 2022 [html] [doi]
    55. Bora, Mayuri, Behera, Sushant Kumar, Samal, Prasanjit and Deb, Pritam, Magnetic proximity induced valley-contrasting quantum anomalous hall effect in a graphene-${\mathrm{crbr}}_{3}$ van der waals heterostructure, Phys. Rev. B 105, 235422, 2022 [html] [doi]
    56. Banerjee, Subhadeep, Ghosh, Kalpak, Reddy, Sandeep K and Yamijala, Sharma S R K C, Cobalt anti-mxenes as promising anode materials for sodium-ion batteries, The Journal of Physical Chemistry C 126, 10298-10308, 2022 [html] [doi]
    57. Patel, Shubham, Dey, Urmimala, Adhikari, Narayan Prasad and Taraphder, A, Electric field and strain-induced band-gap engineering and manipulation of the rashba spin splitting in janus van der waals heterostructures, Phys. Rev. B 106, 035125, 2022 [html] [doi]
    58. Kotha, Srinu, Sahu, Rahul, Srideep, Dasari, Yamijala, Sharma S R K C , Kumar Reddy, Sandeep and Venkata Rao, Kotagiri, Cooperative supramolecular polymerization guided by dispersive interactions, Chemistry – An Asian Journal n/a, e202200494, 2022 [html] [doi]
    59. Shakilur Rahman, Karunamoy Rajak, Sabyashachi Mishra and Amit Kumar Das, Identification of potential inhibitors against femx of staphylococcus aureus: a hierarchial in-silico drug repurposing approach, Journal of Molecular Graphics and Modelling 115, 108215, 2022 [html] [doi]
    60. Nilanjan Roy, Biplab Koley, Harshit and Partha P Jana, Formation and stability of rh2cd5 and its strucural correlation with rhcd and rh3cd5−δ (δ ∼ 0.56), Zeitschrift für Kristallographie - Crystalline Materials , 2022 [html] [doi]
    61. Souvik Biswas, Arijit Pal, Pratip Chakraborty, Koel Chaudhury and Soumen Das, Machine learning based urinary ph sensing using polyaniline deposited paper device and integration of smart web app interface: theory to application, Biosensors and Bioelectronics 211, 114332, 2022 [html] [doi]
    62. Mohd Imran Khan and Rajib Maity, Hybrid deep learning approach for multi-step-ahead prediction for daily maximum temperature and heatwaves, Theoretical and Applied Climatology, 2022 [html] [doi]
    63. Mondal, Souvik, Ghanta, Krishna Prasad and Bandyopadhyay, Sanjoy, Dynamic heterogene ity at the interface of an intrinsically disordered peptide, Journal of Chemical Information and Modeling 62, 1942-1955, 2022 [html] [doi]
    64. Roy, Nilanjan, Harshit, Mondal, Amit, Wang, Fei and Jana, Partha P, Structural and t heoretical investigations on the unique coloring scheme of the gamma‐brass type phase, Z. Anorg. Allg. Chem., 2022 [html] [doi]
    65. Thimmakondu, Venkatesan S , Sinjari, Aland, Inostroza, Diego, Vairaprakash, Pothiappan, Thirumoorthy, Krishnan, Roy, Saikat, Anoop, Anakuthil and Tiznado, William, Why an integrated approach between search algorithms and chemical intuition is necessary?, Phys. Chem. Chem. Phys., -, 2022 [html] [doi]
    66. Nitin, Baby, Sandilya, Pavitra and Chakraborty, Goutam, Optimal design of a helical coil support for dewars in fuel cell applications, Environmental Science and Pollution Research, 1-12, 2022 [html] [doi]
    67. Satyajit Khatua and Srabani Taraphder, In the footsteps of an inhibitor unbinding fr om the active site of human carbonic anhydrase ii, Journal of Biomolecular Structure and Dynamics , 1-18, 2022 [html] [doi]
    68. Salam, Amritha Abdul, Mahadevappa, Manjunatha, Das, Asha and Nair, Madhu S, Drg-net: a graph neural network for computer-aided grading of diabetic retinopathy, Signal, Image and Video Processing, 1-7, 2022 [html] [doi]
    69. S Pathak; M Chakraborty; S DasGupta, Molecular investigation of actuation of elec trowetted nanodroplets 0, null, 2022 [html] [doi]
    70. Shukla, Vishwanath and Nazarenko, Sergey, Nonequilibrium bose-einstein condensation, Phys. Rev. A 105, 033305, 2022 [html] [doi]
    71. Patra, Shanti Gopal, Jha, Ruchi, Mondal, Himangshu and Chattaraj, Pratim Kumar, Fischer and schrock carbene complexes in the light of global and local electrophilicity-based descriptors, Journal of Physical Organic Chemistry n/a, e4337, 2022 [html] [doi]
    72. Prasenjit Das and Pratim Kumar Chattaraj, Stabilisation of li(0)-li(0) bond by normal and mesoionic carbenes and electride characteristics of the complexes, Molecular Physics 0, e2026512, 2022 [html] [doi]
    73. Deepak Kumar Gorai and Tarun Kumar Kundu, No adsorption on the os, ir, and pt embedded tri-s-triazine based graphitic carbon nitride: a dft study, Applied Surface Science 590, 153104, 2022 [html] [doi]
    74. Payel Banik, Ranabir Majumder, Anik Mandal, Sanjib Dey and Mahitosh Mandal, A computational study to assess the polymorphic landscape of matrix metalloproteinase 3 promoter and its effects on transcriptional activity, Computers in Biology and Medicine, 105404, 2022 [html] [doi]
    75. Sen, Biswajit, Roy, Saikat, Garai, Sujay, Roy, Sayan, Anoop, Anakuthil and Hajra, Saumen, Stereochemistry of the benzylidene γ-butyrolactone dictates the reductive heck cyclization mode in the asymmetric synthesis of aryltetralin lignans: a detailed experimental and theoretical study, The Journal of Organic Chemistry 0, null, 2022 [html] [doi]
    76. Das, Sahana, Das, Sudipto, Mukherjee, Sutirtha and Mandal, Sudhansu S, From the gaffnian critical point to the incompressible 2/5 quantum hall state, Phys. Rev. B 105, L041305, 2022 [html] [doi]
    77. Ojha, M , Banerjee, M , Ray, S , Singh, A K , Anoop, A and Singh, N D P, Switching photorelease to singlet oxygen generation by oxygen functionalization of phenothiazine photocages, Chemical Communications 58, 2754-2757, 2022 [html] [doi]
    78. Himabindu Battula, Sunita Muduli, Sony Priyanka Bandi, Shristy Kapoor, Sabyashachi Mishra, Himanshu Aggarwal, Venkata Vamsi krishna Venuganti and Subbalakshmi Jayanty, Selective and swift-responsive “off-on” rhodamine b based chemosensors: recognition of multi-metal ions, on-site sensing of fe(iii)in water samples and bioimaging in aqueous media, Journal of Photochemistry and Photobiology A: Chemistry 426, 113748, 2022 [html] [doi]
    79. Susila Mahapatra and Somnath Ghosh, Dns of compressible turbulent flow in convergent-divergent nozzles with isothermal wall, International Journal of Heat and Fluid Flow 94, 108938, 2022 [html] [doi]
    80. Giri, Arghyanir, Biswas, Neelakash, Chase, Danielle L , Xue, Nan, Abkarian, Manouk, Mendez, Simon, Saha, Sandeep and Stone, Howard A, Colliding respiratory jets as a mechanism of air exchange and pathogen transport during conversations, Journal of Fluid Mechanics 930, R1, 2022 [html] [doi]
    81. K Krishnan and Debarghya Chakraborty, Probabilistic study on the bearing capacity of strip footing subjected to combined effect of inclined and eccentric loads, Computers and Geotechnics 141, 104505, 2022 [html] [doi]

    2021

    1. Manik Das, Paola Brandao, Soumya Sundar Mati, Saikat Roy, Anakuthil Anoop, Anjima James, Susmita De, Uttam Kumar Das, Soumik Laha, Jisu Mondal, Bidhan Chandra Samanta and Tithi Maity, Effect of ancillary ligand on dna and protein interaction of the two zn (ii) and co (iii) complexes: experimental and theoretical study, Journal of Biomolecular Structure and Dynamics 0, 1-16, 2021 [html] [doi]
    2. Koley, Biplab, Roy, Nilanjan, Harshit, Mallick, Subhadip, Simonov, Arkadiy and Jana, Partha P, A vacancy-driven intermetallic phase: rh3cd5- $\delta$ ($\delta$~ 0.56), Inorganic Chemistry 60, 5488-5496, 2021 [html] [doi]
    3. Mondal, Souvik, Mondal, Sandip and Bandyopadhyay, Sanjoy, Importance of solvent in guiding the conformational properties of an intrinsically disordered peptide, Langmuir 37, 14429-14442, 2021 [html] [doi]
    4. Poddar, Arpita and Chattaraj, Pratim Kumar, Li4epc: a metallo-organic electride comprising metal-nitrogen bonds, International Journal of Quantum Chemistry, e26856, 2021 [html] [doi]
    5. Roy, Saikat, Thirumoorthy, Krishnan, Padidela, Uday Kumar, Vairaprakash, Pothiappan, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Organomagnesium crown ethers and their binding affinities with li+, na+, k+, be2+, mg2+, and ca2+ ions – a theoretical study, ChemistrySelect:https://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/slct.202102317 6, 8782-8790, 2021 [html] [doi]
    6. Jay Krishan, supervisor: Tarun Kumar Kundu, Experimental and computational study of high capacity silicon-oxide/hard carbon based anode materials for lithium-ion bat tery, Ph.D Thesis , , 2021 [html] [doi]
    7. Paul, Tanmoy Kumar and Taraphder, Srabani, Molecular modelling of two coordination states of zn (ii) ion at the active site of human carbonic anhydrase ii, Chemical Physics 549, 111281, 2021 [html] [doi]
    8. Shaw, Abinash Kumar, Bharadwaj, Somnath, Sarkar, Debanjan, Mazumdar, Arindam, Singh, Sukhdeep and Majumdar, Suman, A fast estimator for quantifying the shape dependence of the 3d bispectrum, \jcap:2107.14564 2021, 024, 2021 [html] [doi]
    9. Bhattacharyya, Siddhartha, Tiwari, Himanshu, Bharadwaj, Somnath and Majumdar, Suman, A maximum likelihood estimate of the parameters of the frb population:2109.06785, 2021 [html] [doi]
    10. Deepak Kumar Gorai, Tarun Kumar Kundu, Platinum-silicon doped graphitic carbon nitride: a first principle calculation, Physica B: Condensed Matter , 413547, 2021 [html] [doi]
    11. Mitra, Arijit, Das, Saptarshi, Das, Debasish, Majumder, Subhasish B and Das, Siddhartha, Effect of salt concentration on the solubility, ion-dynamics, and transport properties of dissolved vanadium ions in lithium-ion battery electrolytes: generalized solubility limit approach (part ii), arXiv preprint arXiv:2111.14591, 2021 [html]
    12. Anwarhussaini Syed, Sabyashachi Mishra and Subbalakshmi Jayanty, 7, 7-bis(n, n-diethylethylenediamino)-8, 8-dicyanoquinodimethane: effect of ethyl moiety on the photophysical property besides thermal stability, Journal of Fluorescence, 2021 [html] [doi]
    13. Omkar Mypati, Polkampally Pavan Kumar, Perwej Iqbal Md, Surjya Kanta Pal and Prakash Srirangam, Molecular dynamics simulation of atomic diffusion in friction stir spot welded al to cu joints, Mechanics of Advanced Materials and Structures:https://doi.org/10.1080/15376494.2021.1972188 0, 1-7, 2021 [html] [doi]
    14. S Kumar S Ghosh, Application of bandwidth-optimized weno schemes to dns ofshock-turbulence interaction problems, Shock Waves , , 2021 [html] [doi]
    15. Jana, Gourhari, Pal, Ranita and Chattaraj, Pratim Kumar, 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, The Journal of Physical Chemistry A, 2021 [html] [doi]
    16. Khatun, Maya, Roy, Saikat, Giri, Sandip, CH, Sasanka Sankhar Reddy, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Bal4mg−/0/+: global minima with a planar tetracoordinate or hypercoordinate boron atom, Atoms 9, 2021 [html] [doi]
    17. Karak, Pijush, Ruud, Kenneth and Chakrabarti, Swapan, Demystifying the origin of vibrational coherence transfer between the s1 and t1 states of the pt-pop complex, The Journal of Physical Chemistry Letters 12, 9768-9773, 2021 [html] [doi]
    18. Mondal, Rajesh, Mellema, Garrelt, Shaw, Abinash Kumar, Kamran, Mohd and Majumdar, Suman, The epoch of reionization 21-cm bispectrum: the impact of light-cone effects and detectability, Monthly Notices of the Royal Astronomical Society 508, 3848, 2021 [html] [doi]
    19. Seshasayanan, Kannabiran, Dallas, Vassilios and Fauve, Stephan, Bifurcations of a plane parallel flow with kolmogorov forcing, Phys. Rev. Fluids 6, 103902, 2021 [html] [doi]
    20. Nilanjan Roy, Saroj Kumari, Harshit, Partha P Jana and Parag A Deshpande, Hydrogen storage properties of hexagonal c14 laves phase cu2cd: a dft study, Journal of Solid State Chemistry 304, 122560, 2021 [html] [doi]
    21. Ghose, Anirban, Maity, Srijeeta, Kar, Arijit and Dey, Soumyajit, Orchestration of perception systems for reliable performance in heterogeneous platforms , 1757-1762, 2021 [doi]
    22. Arijit Mitra, Subhasish Basu Majumder and Siddhartha Das, Investigations on the improved electrochemical performance of layered fe-v-o kazakhstanite phase by using superconcentrated electrolytes, ECS} Meeting Abstracts MA}2021-01, 469-469, 2021 [html] [doi]
    23. Jagannath Mahato, Dhananjay Kumar Srivastava, Dinesh Kumar Chandraker, Rajaram Lakkaraju, On offset placement of a compound droplet in a channel flow, J. Fluids Engg-ASME 144, 031401, 2021 [html] [doi]
    24. Madhulekha Rakshit, Sunita Muduli, Prem Prakash Srivastav and Sabyashachi Mishra, Pomegranate peel polyphenols prophylaxis against sars-cov-2 main protease by in-silico docking and molecular dynamics study, Journal of Biomolecular Structure and Dynamics 0, 1-15, 2021 [html] [doi]
    25. Reddy, K S S V Prasad and Deshpande, Parag A, Density functional theory study of the immobilization and hindered surface migration of pd3 and pd4 nanoclusters over defect-ridden graphene: implications for heterogeneous catalysis, ACS Applied Nano Materials 4, 9068-9079, 2021 [html] [doi]
    26. Vikesh Kumar Jha, Sanghamitra Das, Vasudevan Subramaniyan, Tapas Guchhait, Kishan Kumar Dakua, Sabyashachi Mishra and Ganesan Mani, Synthesis, structural characterization, and bonding analysis of two-coordinate copper(i) and silver(i) complexes of pyrrole-based bis(phosphinimine): new metal{\textendash}pyrrole ring $\uppi$-interactions, Dalton Transactions 50, 8036-8044, 2021 [html] [doi]
    27. Ghanta, Krishna Prasad, Mondal, Souvik, Mondal, Sandip and Bandyopadhyay, Sanjoy, Contrasting effects of ionic liquids of varying degree of hydrophilicity on the conformational and interfacial properties of a globular protein, The Journal of Physical Chemistry B, 2021 [html] [doi]
    28. Bera, Satabdi, Roy, Saikat, Pal, Shyam Chand, Anoop, Anakuthil and Samanta, Rajarshi, Iridium(iii)-catalyzed intermolecular mild n-arylation of aliphatic amides using quinoid carbene: a migratory insertion-based approach, ACS Catalysis 11, 10847-10854, 2021 [html] [doi]
    29. Ranjini Sarkar and Tarun Kumar Kundu, Density functional theory-based analyses on selective gas separation by β-pvdf-supported ionic liquid membranes, Journal of Molecular Graphics and Modelling, 108004, 2021 [html] [doi]
    30. Job, Nisha, Khatun, Maya, Thirumoorthy, Krishnan, CH, Sasanka Sankhar Reddy, Chandrasekaran, Vijayanand, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Cal4mg0/-: global minima with a planar tetracoordinate carbon atom, Atoms 9, 24, 2021 [html] [doi]
    31. Das, Sahana, Das, Sudipto and Mandal, Sudhansu S, Unconventional filling factor of 4/11: a closed-form ground-state wave function, Physical Review B 103, 075304, 2021 [html] [doi]
    32. Sahu,Rahul and Nayar,Divya, Crowding effects on water-mediated hydrophobic interactions, The Journal of Chemical Physics 155, 024903, 2021 [html] [doi]
    33. Das,Prasenjit and Chattaraj,Pratim Kumar, Substituent effects on electride characteristics of mg2(η5-c5h5)2: a theoretical study, The Journal of Physical Chemistry, 2021 [html] [doi]
    34. Alam, Md Irshad, Raj, Apurva, Khan, Piru Mohan, Kumar, Subrata and Roy, Somnath, Numerical simulation of flow of a shear-thinning carreau fluid over a transversely oscillating cylinder, Journal of Fluid Mechanics 921, A23, 2021 [html] [doi]
    35. Bharat Manna, Supratim Datta and Amit Ghosh, Understanding the dissolution of softwood lignin in ionic liquid and water mixed solvents, International Journal of Biological Macromolecules 182, 402-412, 2021 [html] [doi]
    36. Atanuka Paul and Sabyashachi Mishra, Metal-ion promiscuity of microbial enzyme {dape} at its second metal-binding site, JBIC, Journal of Biological Inorganic Chemistry 26, 569-582, 2021 [html] [doi]
    37. Radhakrishnan, Rokesh, Manna, Bharat and Ghosh, Amit, Solvent induced conformational changes for the altered activity of laccase: a molecular dynamics study, Journal of Hazardous Materials, 127123, 2021 [html] [doi]
    38. Manna, Bharat, Datta, Supratim and Ghosh, Amit, Understanding the dissolution of softwood lignin in ionic liquid and water mixed solvents, International Journal of Biological Macromolecules 182, 402-412, 2021 [html] [doi]
    39. Roy, Saikat, Thirumoorthy, Krishnan, Padidela, Uday Kumar, Vairaprakash, Pothiappan, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Organomagnesium crown ethers and their binding affinities with li+, na+, k+, be2+, mg2+, and ca2+ ions--a theoretical study, ChemistrySelect 6, 8782-8790, 2021 [html] [doi]

    2020

    1. Kotagiri, Venkata Rao, Kotha, Srinu, Mabesoone, Mathijs F J, Srideep, Dasari, Sahu, Rahul and Reddy, Sandeep K, Supramolecular depolymerization in the mixture of two poor solvents: mechanistic insights and modulation of supramolecular polymerization of ionic π-systems, Angewandte Chemie International Edition:https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202011977, 2020 [html] [doi]
    2. Kar, Prabir Kumar, Kumar, Yada Nandu, Das, P K and Lakkaraju, Rajaram, Thermal convection in octagonal-shaped enclosures, Phys. Rev. Fluids 5, 103501, 2020 [html] [doi]
    3. Das, Arghya, Bhowmik, Anal, Dutta, Narendra Nath and Majumder, Sonjoy, Many-body calculations and hyperfine-interaction effect on dynamic polarizabilities at the low-lying energy levels of y 2+, Physical Review A 102, 012801, 2020 [html] [doi]

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List of Conference Presentations

  • (1) Will be updated soon

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