Driving force for the complexation of charged polypeptides AN Singh, A Yethiraj The Journal of Physical Chemistry B 124 (7), 1285-1292, 2020 | 32 | 2020 |
Solid–liquid coexistence of neon, argon, krypton, and xenon studied by simulations AN Singh, JC Dyre, UR Pedersen The Journal of Chemical Physics 154 (13), 2021 | 18 | 2021 |
Liquid–liquid phase separation as the second step of complex coacervation AN Singh, A Yethiraj The Journal of Physical Chemistry B 125 (12), 3023-3031, 2021 | 18 | 2021 |
Peptide isomerization is suppressed at the air–water interface AN Singh, DT Limmer The Journal of Physical Chemistry Letters 13 (2), 574-579, 2022 | 8 | 2022 |
Variational deep learning of equilibrium transition path ensembles AN Singh, DT Limmer The Journal of Chemical Physics 159 (2), 2023 | 6 | 2023 |
Probing reaction channels via reinforcement learning S Liang, AN Singh, Y Zhu, DT Limmer, C Yang Machine Learning: Science and Technology 4 (4), 045003, 2023 | 1 | 2023 |
Splitting probabilities are optimal controllers of rare reactive events AN Singh, DT Limmer arXiv preprint arXiv:2402.05414, 2024 | | 2024 |