| Monoethanolamine based DESs for CO2 absorption: Insights from molecular dynamics simulations D Kussainova, D Shah Separation and Purification Technology 231, 115931, 2020 | 33 | 2020 |
| Structure of monoethanolamine based type III DESs: Insights from molecular dynamics simulations D Kussainova, D Shah Fluid Phase Equilibria 482, 112-117, 2019 | 15 | 2019 |
| Molecular simulation of liquid–vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models D Kussainova, A Mondal, JM Young, S Yue, AZ Panagiotopoulos The Journal of Chemical Physics 153 (2), 2020 | 13 | 2020 |
| Modeling chemical reactions in alkali carbonate–hydroxide electrolytes with deep learning potentials A Mondal, D Kussainova, S Yue, AZ Panagiotopoulos Journal of Chemical Theory and Computation 19 (14), 4584-4595, 2022 | 10 | 2022 |
| Reactive Phase Behavior of Molten Alkali Carbonates and Hydroxides using Molecular Simulations and Ab Initio-based Machine Learning Models D Kussainova, A Panagiotopoulos Bulletin of the American Physical Society, 2024 | | 2024 |
| Molecular Simulation of Lithium Carbonate Reactive Vapor–Liquid Equilibria Using a Deep Potential Model D Kussainova, AZ Panagiotopoulos Journal of Chemical & Engineering Data 69 (1), 204-214, 2023 | | 2023 |
Athanassios Z PanagiotopoulosSusan Dod Brown Professor of Chemical and Biological Engineering, Princeton Univ.Verified email at princeton.edu
