| Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physics X Bian, Y Wu, HH Teh, Z Zhou, HT Chen, JE Subotnik The Journal of Chemical Physics 154 (11), 2021 | 45 | 2021 |
| Swimming to Stability: Structural and Dynamical Control via Active Doping AK Omar, Y Wu, ZG Wang, JF Brady ACS nano 13 (1), 560-572, 2018 | 43 | 2018 |
| Electronic spin separation induced by nuclear motion near conical intersections Y Wu, JE Subotnik Nature communications 12, 700, 2021 | 42 | 2021 |
| Predicting thermodynamic properties of alkanes by high-throughput force field simulation and machine learning Z Gong, Y Wu, L Wu, H Sun Journal of chemical information and modeling 58 (12), 2502-2516, 2018 | 31 | 2018 |
| Chemical reaction rates for systems with spin–orbit coupling and an odd number of electrons: Does Berry’s phase lead to meaningful spin-dependent nuclear dynamics for a two … Y Wu, G Miao, JE Subotnik The Journal of Physical Chemistry A 124 (37), 7355-7372, 2020 | 21 | 2020 |
| Extracting the mechanisms and kinetic models of complex reactions from atomistic simulation data Y Wu, H Sun, L Wu, JD Deetz Journal of computational chemistry 40 (16), 1586-1592, 2019 | 21 | 2019 |
| Electron transfer and spin–orbit coupling: Can nuclear motion lead to spin selective rates? SS Chandran, Y Wu, HH Teh, DH Waldeck, JE Subotnik The Journal of Chemical Physics 156 (17), 2022 | 17 | 2022 |
| A phase-space semiclassical approach for modeling nonadiabatic nuclear dynamics with electronic spin Y Wu, X Bian, JI Rawlinson, RG Littlejohn, JE Subotnik The Journal of chemical physics 157 (1), 2022 | 15 | 2022 |
| Semiclassical description of nuclear dynamics moving through complex-valued single avoided crossings of two electronic states Y Wu, JE Subotnik The Journal of Chemical Physics 154 (23), 2021 | 13 | 2021 |
| Modeling spin-dependent nonadiabatic dynamics with electronic degeneracy: A phase-space surface-hopping method X Bian, Y Wu, J Rawlinson, RG Littlejohn, JE Subotnik The Journal of Physical Chemistry Letters 13 (32), 7398-7404, 2022 | 11 | 2022 |
| Incorporating Berry force effects into the fewest switches surface-hopping algorithm: Intersystem crossing and the case of electronic degeneracy X Bian, Y Wu, HH Teh, JE Subotnik Journal of Chemical Theory and Computation 18 (4), 2075-2090, 2022 | 10 | 2022 |
| A high-throughput computing procedure for predicting vapor-liquid equilibria of binary mixtures–Using carbon dioxide and n-alkanes as examples F Cao, Z Gong, Y Wu, H Sun Fluid Phase Equilibria 452, 58-68, 2017 | 8 | 2017 |
| Total angular momentum conservation in ab initio Born-Oppenheimer molecular dynamics X Bian, Z Tao, Y Wu, J Rawlinson, RG Littlejohn, JE Subotnik Physical Review B 108 (22), L220304, 2023 | 6 | 2023 |
| Surface hopping, electron translation factors, electron rotation factors, momentum conservation, and size consistency V Athavale, X Bian, Z Tao, Y Wu, T Qiu, J Rawlinson, RG Littlejohn, ... The Journal of Chemical Physics 159 (11), 2023 | 4 | 2023 |
| Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of adiabatic states Z Tao, X Bian, Y Wu, J Rawlinson, RG Littlejohn, JE Subotnik The Journal of Chemical Physics 160 (5), 2024 | 3 | 2024 |
| A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping Y Wu, JE Subotnik The Journal of Chemical Physics 158 (2), 2023 | 3 | 2023 |
| Effect of Duschinskii rotations on spin-dependent electron transfer dynamics SS Chandran, Y Wu, JE Subotnik The Journal of Physical Chemistry A 126 (50), 9535-9552, 2022 | 2 | 2022 |
| Linear and angular momentum conservation in surface hopping methods Y Wu, J Rawlinson, RG Littlejohn, JE Subotnik The Journal of Chemical Physics 160 (2), 2024 | 1 | 2024 |
| Nonadiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet Phase-Space Surface Hopping Z Zhou, Y Wu, X Bian, JE Subotnik Journal of Chemical Theory and Computation 19 (3), 718-732, 2023 | | 2023 |
| Electronic Spin Coupled Nonadiabatic Dynamics Y Wu University of Pennsylvania, 2023 | | 2023 |
Joseph SubotnikProfessor of Chemistry, University of PennsylvaniaVerified email at sas.upenn.edu
