Alexey V. Akimov
Title
Cited by
Cited by
Year
Theoretical insights into photoinduced charge transfer and catalysis at oxide interfaces
AV Akimov, AJ Neukirch, OV Prezhdo
Chemical reviews 113 (6), 4496-4565, 2013
3902013
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
3122013
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
2502014
Recent progress in surface hopping: 2011–2015
L Wang, A Akimov, OV Prezhdo
The journal of physical chemistry letters 7 (11), 2100-2112, 2016
1802016
Large-scale computations in chemistry: a bird’s eye view of a vibrant field
AV Akimov, OV Prezhdo
Chemical reviews 115 (12), 5797-5890, 2015
1562015
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
1202014
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
1002013
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
932013
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
732016
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
712015
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), 194107, 2014
702014
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
652016
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
532017
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
512016
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
492018
Rigid-body molecular dynamics of fullerene-based nanocars on metallic surfaces
SS Konyukhov, IV Kupchenko, AA Moskovsky, AV Nemukhin, AV Akimov, ...
Journal of chemical theory and computation 6 (9), 2581-2590, 2010
392010
Dynamics of thioether molecular rotors: effects of surface interactions and chain flexibility
HL Tierney, AE Baber, ECH Sykes, A Akimov, AB Kolomeisky
The Journal of Physical Chemistry C 113 (25), 10913-10920, 2009
382009
Second-quantized surface hopping
AV Akimov, OV Prezhdo
Physical review letters 113 (15), 153003, 2014
372014
Theoretical Investigation of Electron and Nuclear Dynamics in the [Au25(SH)18]−1 Thiolate-Protected Gold Nanocluster
RD Senanayake, AV Akimov, CM Aikens
The Journal of Physical Chemistry C 121 (20), 10653-10662, 2017
342017
Criticality of symmetry in rational design of chalcogenide perovskites
A Nijamudheen, AV Akimov
The journal of physical chemistry letters 9 (1), 248-257, 2018
302018
The system can't perform the operation now. Try again later.
Articles 1–20