| Force field for water based on neural network H Wang, W Yang The journal of physical chemistry letters 9 (12), 3232-3240, 2018 | 60 | 2018 |
| Toward building protein force fields by residue-based systematic molecular fragmentation and neural network H Wang, W Yang Journal of chemical theory and computation 15 (2), 1409-1417, 2018 | 24 | 2018 |
| Modeling molecular kinetics with Milestoning R Elber, A Fathizadeh, P Ma, H Wang Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (4), e1512, 2021 | 14 | 2021 |
| Determining polarizable force fields with electrostatic potentials from quantum mechanical linear response theory H Wang, W Yang The Journal of Chemical Physics 144 (22), 2016 | 14 | 2016 |
| Exploring the reaction mechanism of HIV reverse transcriptase with a nucleotide substrate H Wang, N Huang, T Dangerfield, KA Johnson, J Gao, R Elber The Journal of Physical Chemistry B 124 (21), 4270-4283, 2020 | 9 | 2020 |
| Milestoning with wind: Exploring the impact of a biasing potential in exact calculation of kinetics H Wang, R Elber The Journal of Chemical Physics 152 (22), 2020 | 8 | 2020 |
| Self-adaptive real-time time-dependent density functional theory for x-ray absorptions L Ye, H Wang, Y Zhang, W Liu The Journal of Chemical Physics 157 (7), 2022 | 7 | 2022 |
| Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics R Wang, H Wang, W Liu, R Elber Journal of Chemical Theory and Computation 19 (19), 6816-6826, 2023 | 3 | 2023 |
| ScMiles2: A script to conduct and analyze Milestoning trajectories for Long Time Dynamics AE Cardenas, A Hunter, H Wang, R Elber Journal of chemical theory and computation 18 (11), 6952-6965, 2022 | 3 | 2022 |
| Catalytic Magnesium as a Door Stop for DNA Sliding H Wang, R Elber The Journal of Physical Chemistry B 125 (14), 3494-3500, 2021 | 2 | 2021 |
| On committor functions in milestoning X Ji, R Wang, H Wang, W Liu Journal of Chemical Physics 159 (24), 244115, 2023 | 1 | 2023 |
| NaYF4: Yb/Er@ Mn3O4@ GOX Nanocomposite for Upconversion Fluorescence Imaging and Synergistic Cascade Cancer Therapy by Apoptosis and Ferroptosis Y Chen, H Li, B Hou, A Wu, W Wu, C Li, H Wang, D Chen, X Wang Small, 2304438, 2023 | 1 | 2023 |
| Kinetic network in Milestoning: Clustering, reduction, and transition path analysis R Wang, X Ji, H Wang, W Liu arXiv preprint arXiv:2404.11007, 2024 | | 2024 |
| Real-Time Time-Dependent Density Functional Theories With Large Time Step and Short Simulation Time L Ye, H Wang, Y Zhang, Y Xiao, W Liu Comprehensive Computational Chemistry, 2023 | | 2023 |
| Self-Adaptive Real-Time Time-Dependent Density Functional Theory for Core Excitations L Ye, H Wang, Y Zhang, W Liu arXiv preprint arXiv:2202.06064, 2022 | | 2022 |
Ron ElberU of Texas at Austin, The Inst for Comput Eng and Sci, and MiTOMED PHARMA, Inc.Verified email at ices.utexas.edu
