Searching configurations in uncertainty space: Active learning of high-dimensional neural network reactive potentials Q Lin, L Zhang, Y Zhang, B Jiang Journal of Chemical Theory and Computation 17 (5), 2691-2701, 2021 | 52 | 2021 |
Unified and transferable description of dynamics of H 2 dissociative adsorption on multiple copper surfaces via machine learning L Zhu, Y Zhang, L Zhang, X Zhou, B Jiang Physical Chemistry Chemical Physics 22 (25), 13958-13964, 2020 | 49 | 2020 |
Ring polymer molecular dynamics in gas–surface reactions: Inclusion of quantum effects made simple Q Liu, L Zhang, Y Li, B Jiang The Journal of Physical Chemistry Letters 10 (23), 7475-7481, 2019 | 35 | 2019 |
Ab initio molecular dynamics study of the Eley-Rideal reaction of H+ Cl–Au (111)→ HCl+ Au (111): Impact of energy dissipation to surface phonons and electron-hole pairs L Zhou, X Zhou, M Alducin, L Zhang, B Jiang, H Guo The Journal of Chemical Physics 148 (1), 2018 | 31 | 2018 |
Observation of the carbon elimination channel in vacuum ultraviolet photodissociation of OCS W Chen, L Zhang, D Yuan, Y Chang, S Yu, S Wang, T Wang, B Jiang, ... The Journal of Physical Chemistry Letters 10 (17), 4783-4787, 2019 | 20 | 2019 |
Efficient Vibrational Energy Redistribution between Stretching Modes: State-to-State Quantum Scattering of from Cu(111) L Zhang, B Jiang Physical Review Letters 123 (10), 106001, 2019 | 17 | 2019 |
State-to-state quantum dynamics of H2O/HOD scattering from Cu (111): Mode-and bond-selective vibrational energy transfer L Zhang, B Jiang The Journal of Chemical Physics 153 (21), 2020 | 9 | 2020 |
Hot-atom-mediated dynamical displacement of CO adsorbed on Cu (111) by incident H atoms: An ab initio molecular dynamics study X Zhou, L Zhang, B Jiang The Journal of Physical Chemistry C 122 (27), 15485-15493, 2018 | 8 | 2018 |
Ring polymer molecular dynamics approach to quantum dissociative chemisorption rates L Zhang, J Zuo, YV Suleimanov, H Guo The Journal of Physical Chemistry Letters 14 (31), 7118-7125, 2023 | 6 | 2023 |
Vibrational State-to-State Scattering of Water from Cu (111): Comparison of Quantum and Quasiclassical Methods with Normal Mode and Adiabatic Switching Sampling L Zhang, J Chen, B Jiang The Journal of Physical Chemistry C 125 (9), 4995-5005, 2021 | 6 | 2021 |
Ring polymer molecular dynamics in gas-surface reactions: tests on initial sampling and potential energy landscape C Li, Q Liu, L Zhang, Y Li, B Jiang Molecular Physics 120 (1-2), e1941367, 2022 | 4 | 2022 |
Six-dimensional quantum dynamics of an Eley–Rideal reaction between gaseous and adsorbed hydrogen atoms on Cu (111) L Xiong, L Zhang, B Zhao, B Jiang Faraday Discussions, 2024 | 1 | 2024 |
Six-dimensional state-to-state quantum dynamics of H2/D2 scattering from Cu(100): Validity of site-averaging model L Zhang, L Zhu, B Jiang Chinese Journal of Chemical Physics 35 (1), 143-152, 2022 | 1 | 2022 |
A quantum wavepacket study of state-to-state photodissociation dynamics of HOBr/DOBr L Zhang, B Jiang Chinese Journal of Chemical Physics 33 (2), 173-182, 2020 | 1 | 2020 |