| Interpolating nonadiabatic molecular dynamics Hamiltonian with artificial neural networks B Wang, W Chu, A Tkatchenko, OV Prezhdo The Journal of Physical Chemistry Letters 12 (26), 6070-6077, 2021 | 32 | 2021 |
| Electron-volt fluctuation of defect levels in metal halide perovskites on a 100 ps time scale B Wang, W Chu, Y Wu, D Casanova, WA Saidi, OV Prezhdo The Journal of Physical Chemistry Letters 13 (25), 5946-5952, 2022 | 21 | 2022 |
| Fluctuations at Metal Halide Perovskite Grain Boundaries Create Transient Trap States: Machine Learning Assisted Ab Initio Analysis Y Wu, D Liu, W Chu, B Wang, AS Vasenko, OV Prezhdo ACS Applied Materials & Interfaces 14 (50), 55753-55761, 2022 | 16 | 2022 |
| Significance of the chemical environment of an element in nonadiabatic molecular dynamics: Feature selection and dimensionality reduction with machine learning WB How, B Wang, W Chu, A Tkatchenko, OV Prezhdo The Journal of Physical Chemistry Letters 12 (50), 12026-12032, 2021 | 16 | 2021 |
| Interpolating nonadiabatic molecular dynamics hamiltonian with inverse fast fourier transform B Wang, W Chu, OV Prezhdo The journal of physical chemistry letters 13 (1), 331-338, 2022 | 10 | 2022 |
| Halide Vacancies Create No Charge Traps on Lead Halide Perovskite Surfaces but Can Generate Deep Traps in the Bulk J Ran, B Wang, Y Wu, D Liu, C Mora Perez, AS Vasenko, OV Prezhdo The Journal of Physical Chemistry Letters 14 (26), 6028-6036, 2023 | 9 | 2023 |
| Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites WB How, B Wang, W Chu, SM Kovalenko, A Tkatchenko, OV Prezhdo The Journal of Chemical Physics 156 (5), 2022 | 5 | 2022 |
| Efficient Modeling of Quantum Dynamics of Charge Carriers in Materials Using Short Nonequilibrium Molecular Dynamics B Wang, Y Wu, D Liu, AS Vasenko, D Casanova, OV Prezhdo The Journal of Physical Chemistry Letters 14 (37), 8289-8295, 2023 | 4 | 2023 |
| Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Bidirectional Long Short-Term Memory Networks B Wang, L Winkler, Y Wu, KR Müller, HE Sauceda, OV Prezhdo The Journal of Physical Chemistry Letters 14 (31), 7092-7099, 2023 | 3 | 2023 |
| Photocatalytic Activity of Dual Defect Modified Graphitic Carbon Nitride is Robust to Tautomerism: Machine Learning Assisted Ab Initio Quantum Dynamics S Agrawal, B Wang, Y Wu, D Casanova, OV Prezhdo Nanoscale, 2024 | | 2024 |
Oleg PrezhdoProfessor of Chemistry, and Physics and Astronomy, University of Southern CaliforniaVerified email at usc.edu
