| Molecular modeling of structure and dynamics of Nafion protonation states S Sengupta, AV Lyulin The Journal of Physical Chemistry B 123 (31), 6882-6891, 2019 | 39 | 2019 |
| Molecular dynamics simulations of substrate hydrophilicity and confinement effects in capped Nafion films S Sengupta, AV Lyulin The Journal of Physical Chemistry B 122 (22), 6107-6119, 2018 | 38 | 2018 |
| Atomistic simulation study of the hydrated structure and transport dynamics of a novel multi acid side chain polyelectrolyte membrane S Sengupta, R Pant, P Komarov, A Venkatnathan, AV Lyulin International Journal of Hydrogen Energy 42 (44), 27254-27268, 2017 | 27 | 2017 |
| Nanostructure and dynamics of humidified Nafion/graphene-oxide composites via molecular dynamics simulations G Kritikos, R Pant, S Sengupta, K Karatasos, A Venkatnathan, AV Lyulin The Journal of Physical Chemistry C 122 (40), 22864-22875, 2018 | 18 | 2018 |
| Effect of annealing on structure and diffusion in hydrated Nafion membranes AV Lyulin, S Sengupta, A Varughese, P Komarov, A Venkatnathan ACS Applied Polymer Materials 2 (11), 5058-5066, 2020 | 16 | 2020 |
| Dissipative Particle Dynamics Modeling of Polyelectrolyte Membrane–Water Interfaces S Sengupta, A Lyulin Polymers 12 (4), 907, 2020 | 12 | 2020 |
| Computational investigation of a protic ionic liquid doped poly-benzimidazole fuel cell electrolyte R Pant, S Sengupta, AV Lyulin, A Venkatnathan Journal of Molecular Liquids 314, 113686, 2020 | 9 | 2020 |
| A Novel Transient Simulation Based Methodology for the Calculation of Permeability in Pore Network Models A Pasumarti, S Sengupta, JK Michael Abu Dhabi International Petroleum Exhibition and Conference, D041S060R002, 2015 | 8 | 2015 |
| Novel polyelectrolyte membranes for fuel and flow batteries: Insights from simulations S Sengupta, G Kritikos, K Karatasos, A Venkatnathan, R Pant, P Komarov, ... AIP Conference Proceedings 1981 (1), 2018 | 3 | 2018 |
| Multiscale Modeling Examples: New Polyelectrolyte Nanocomposite Membranes for Perspective Fuel Cells and Flow Batteries S Sengupta, AV Lyulin, G Kritikos, K Karatasos, A Venkatnathan, R Pant, ... Theory and Modeling of Polymer Nanocomposites, 133-177, 2021 | 2 | 2021 |
| Determination of Permeability from Pore Network Models by Using A Novel Transient Simulation Methodology S Sengupta | 2 | 2016 |
| Charge delocalization effects on Nafion structure and water/proton dynamics in hydrated environments R Pant, S Sengupta, AV Lyulin, A Venkatnathan Fluid Phase Equilibria 504, 112340, 2020 | 1 | 2020 |
| Molecular-Dynamics Simulations of the Glass Transition in Hydrated Nafion Membranes A Lyulin, S Sengupta, A Varughese, P Komarov, A Venkatnathan APS March Meeting Abstracts 2023, W15. 004, 2023 | | 2023 |
| Molecular‐Dynamics Modeling of Nafion Membranes S Sengupta, R Pant, A Venkatnathan, AV Lyulin Macromolecular Symposia 405 (1), 2100212, 2022 | | 2022 |
| In silico investigation of structure, dynamics and interfaces of polyelectrolyte membranes for fuel cells and flow batteries S Sengupta | | 2020 |
| Computational investigation of a protic ionic liquid doped poly-benzimidazole fuel cell electrolyte S Sengupta, R PANT, AV Lyulin, A VENKATNATHAN Elsevier BV, 2020 | | 2020 |
| Novel polyelectrolyte membranes for fuel and flow batteries: Insights from simulations R PANT, AV Lyulin, G Kritikos, S Sengupta, K Karatasos, P Komarov, ... AIP Publishing, 2018 | | 2018 |
| Insights into the Water Cluster Morphology and Transport in a Novel Multi-Acid and Nanocomposite Polyelectrolyte Membranes using Classical Molecular Dynamics Simulations S Sengupta, R Pant, A Venkatnathan, A Lyulin APS March Meeting Abstracts 2018, V56. 008, 2018 | | 2018 |
