| The PYXAID program for non-adiabatic molecular dynamics in condensed matter systems AV Akimov, OV Prezhdo Journal of chemical theory and computation 9 (11), 4959-4972, 2013 | 635 | 2013 |
| Theoretical insights into photoinduced charge transfer and catalysis at oxide interfaces AV Akimov, AJ Neukirch, OV Prezhdo Chemical reviews 113 (6), 4496-4565, 2013 | 511 | 2013 |
| Advanced capabilities of the PYXAID program: integration schemes, decoherence effects, multiexcitonic states, and field-matter interaction AV Akimov, OV Prezhdo Journal of chemical theory and computation 10 (2), 789-804, 2014 | 486 | 2014 |
| Recent progress in surface hopping: 2011–2015 L Wang, A Akimov, OV Prezhdo The journal of physical chemistry letters 7 (11), 2100-2112, 2016 | 353 | 2016 |
| Large-Scale Computations in Chemistry: A Bird's Eye View of a Vibrant Field A Akimov, O Prezhdo Chem. Rev., 2015 | 227 | 2015 |
| Persistent electronic coherence despite rapid loss of electron–nuclear correlation AV Akimov, OV Prezhdo The Journal of Physical Chemistry Letters 4 (22), 3857-3864, 2013 | 189 | 2013 |
| Nonadiabatic Dynamics of Charge Transfer and Singlet Fission at the Pentacene/C60 Interface AV Akimov, OV Prezhdo Journal of the American Chemical Society 136 (4), 1599-1608, 2014 | 161 | 2014 |
| Spin–orbit interactions greatly accelerate nonradiative dynamics in lead halide perovskites W Li, L Zhou, OV Prezhdo, AV Akimov ACS Energy Letters 3 (9), 2159-2166, 2018 | 125 | 2018 |
| Nonadiabatic dynamics of positive charge during photocatalytic water splitting on GaN (10-10) surface: charge localization governs splitting efficiency AV Akimov, JT Muckerman, OV Prezhdo Journal of the American Chemical Society 135 (23), 8682-8691, 2013 | 124 | 2013 |
| What Makes the Photocatalytic CO2 Reduction on N-Doped Ta2O5 Efficient: Insights from Nonadiabatic Molecular Dynamics AV Akimov, R Asahi, R Jinnouchi, OV Prezhdo Journal of the American Chemical Society 137 (35), 11517-11525, 2015 | 121 | 2015 |
| Nonadiabatic molecular dynamics for thousand atom systems: a tight-binding approach toward PYXAID S Pal, DJ Trivedi, AV Akimov, B Aradi, T Frauenheim, OV Prezhdo Journal of chemical theory and computation 12 (4), 1436-1448, 2016 | 119 | 2016 |
| Cation effect on hot carrier cooling in halide perovskite materials ME Madjet, GR Berdiyorov, F El-Mellouhi, FH Alharbi, AV Akimov, S Kais The journal of physical chemistry letters 8 (18), 4439-4445, 2017 | 113 | 2017 |
| Nonradiative electron–hole recombination rate is greatly reduced by defects in monolayer black phosphorus: ab initio time domain study R Long, W Fang, AV Akimov The journal of physical chemistry letters 7 (4), 653-659, 2016 | 111 | 2016 |
| Coherence penalty functional: A simple method for adding decoherence in Ehrenfest dynamics AV Akimov, R Long, OV Prezhdo The Journal of chemical physics 140 (19), 2014 | 101 | 2014 |
| Molecular dynamics of surface-moving thermally driven nanocars AV Akimov, AV Nemukhin, AA Moskovsky, AB Kolomeisky, JM Tour Journal of chemical theory and computation 4 (4), 652-656, 2008 | 92 | 2008 |
| Libra: an open‐source “methodology discovery” library for quantum and classical dynamics simulations AV Akimov Journal of computational chemistry 37 (17), 1626-1649, 2016 | 81 | 2016 |
| A simple phase correction makes a big difference in nonadiabatic molecular dynamics AV Akimov The journal of physical chemistry letters 9 (20), 6096-6102, 2018 | 78 | 2018 |
| Accurate computation of nonadiabatic coupling with projector augmented-wave pseudopotentials W Chu, Q Zheng, AV Akimov, J Zhao, WA Saidi, OV Prezhdo The Journal of Physical Chemistry Letters 11 (23), 10073-10080, 2020 | 72 | 2020 |
| Enhancing the carrier thermalization time in organometallic perovskites by halide mixing MEA Madjet, AV Akimov, F El-Mellouhi, GR Berdiyorov, S Ashhab, ... Physical Chemistry Chemical Physics 18 (7), 5219-5231, 2016 | 66 | 2016 |
| Modeling nonadiabatic dynamics in condensed matter materials: some recent advances and applications B Smith, AV Akimov Journal of Physics: Condensed Matter 32 (7), 073001, 2019 | 64 | 2019 |
Oleg PrezhdoProfessor of Chemistry, and Physics and Astronomy, University of Southern California在 usc.edu 的电子邮件经过验证
