Alexey V Akimov

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 27

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

Journal of physics. Condensed matter : an Institute of Physics journal

Physical chemistry chemical physics : PCCP

University at Buffalo - North Campus

Rice University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University at Buffalo - North Campus Aug 13 2015

United States

Assistant Professor :: Chemistry Department

University of Southern California

United States

postdoc :: Chemistry

Brookhaven National Laboratory

United States

postdoc :: Chemistry

University of Rochester

United States

postdoc :: Chemistry

Education History

Rice University

United States

PHD :: Chemistry

Moscow State University

Russia

MSC :: Chemistry

Publications

Daeho Han, Alexey V Akimov
Nonadiabatic Dynamics with Exact Factorization: Implementation and Assessment. Journal of chemical theory and computation (2024)
Qingxin Zhang, Xuecheng Shao, Wei Li, Wenhui Mi, Michele Pavanello, Alexey V Akimov
Nonadiabatic Molecular Dynamics with Subsystem Density Functional Theory: Application to Crystalline Pentacene. Journal of physics. Condensed matter : an Institute of Physics journal (2024)
Mohammad Shakiba, Alexey V Akimov
Machine-Learned Kohn-Sham Hamiltonian Mapping for Nonadiabatic Molecular Dynamics. Journal of chemical theory and computation 20 (8) (2024)
Mohammad Shakiba, Alexey V Akimov
Machine-Learned Kohn-Sham Hamiltonian Mapping for Nonadiabatic Molecular Dynamics. Journal of chemical theory and computation (2024)
Qingxin Zhang, Xuecheng Shao, Wei Li, Wenhui Mi, Michele Pavanello, Alexey V Akimov
Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene. Journal of physics. Condensed matter : an Institute of Physics journal 36 (38) (2024)
Qingxin Zhang, Xuecheng Shao, Wei Li, Wenhui Mi, Michele Pavanello, Alexey V Akimov
Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene. Journal of physics. Condensed matter : an Institute of Physics journal 36 (38) (2024)
Mohammad Shakiba, Alexey V Akimov
Machine-Learned Kohn-Sham Hamiltonian Mapping for Nonadiabatic Molecular Dynamics. Journal of chemical theory and computation 20 (8) (2024)
Daeho Han, Alexey V Akimov
Nonadiabatic Dynamics with Exact Factorization: Implementation and Assessment. Journal of chemical theory and computation 20 (12) (2024)
Alexey V Akimov
Energy-Conserving and Thermally Corrected Neglect of Back-Reaction Approximation Method for Nonadiabatic Molecular Dynamics. The journal of physical chemistry letters 14 (51) (2023)
Alexey V Akimov
Energy-Conserving and Thermally Corrected Neglect of Back-Reaction Approximation Method for Nonadiabatic Molecular Dynamics. The journal of physical chemistry letters (2023)
Wei Li, Alexey V Akimov
How Good Is the Vibronic Hamiltonian Repetition Approach for Long-Time Nonadiabatic Molecular Dynamics? The journal of physical chemistry letters 13 (41) (2022)
Mohammad Shakiba, Elizabeth Stippell, Wei Li, Alexey V Akimov
Nonadiabatic Molecular Dynamics with Extended Density Functional Tight-Binding: Application to Nanocrystals and Periodic Solids. Journal of chemical theory and computation 18 (9) (2022)
Brendan Smith, Mohammad Shakiba, Alexey V Akimov
Nonadiabatic Dynamics in Si and CdSe Nanoclusters: Many-Body vs Single-Particle Treatment of Excited States. Journal of chemical theory and computation 17 (2) (2021)
Xiang-Yang Liu, Jia-Jia Yang, Wen-Kai Chen, Alexey V Akimov, Wei-Hai Fang, Ganglong Cui
Spin-Orbit Coupling Accelerates the Photoinduced Interfacial Electron Transfer in a Fullerene-Based Perovskite Heterojunction. The journal of physical chemistry letters 12 (4) (2021)
Alexey V Akimov
Extending the Time Scales of Nonadiabatic Molecular Dynamics via Machine Learning in the Time Domain. The journal of physical chemistry letters 12 (50) (2021)
Story Temen, Alexey V Akimov
A Simple Solution to Trivial Crossings: A Stochastic State Tracking Approach. The journal of physical chemistry letters 12 (2) (2021)
Brendan Smith, Mohammad Shakiba, Alexey V Akimov
Crystal Symmetry and Static Electron Correlation Greatly Accelerate Nonradiative Dynamics in Lead Halide Perovskites. The journal of physical chemistry letters 12 (9) (2021)
WeiBin Chu, Qijing Zheng, Alexey V Akimov, Jin Zhao, Wissam A Saidi, Oleg V Prezhdo
Accurate Computation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials. The journal of physical chemistry letters 11 (23) (2020)
Brendan Smith, Alexey V Akimov
Hot Electron Cooling in Silicon Nanoclusters via Landau-Zener Nonadiabatic Molecular Dynamics: Size Dependence and Role of Surface Termination. The journal of physical chemistry letters 11 (4) (2020)
Brendan Smith, Alexey V Akimov
A comparative analysis of surface hopping acceptance and decoherence algorithms within the neglect of back-reaction approximation. The Journal of chemical physics 151 (12) (2019)
Brendan Smith, Alexey V Akimov
Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects. The Journal of chemical physics 148 (14) (2018)
Ekadashi Pradhan, Rudolph J Magyar, Alexey V Akimov
Scaling relationships for nonadiabatic energy relaxation times in warm dense matter: toward understanding the equation of state. Physical chemistry chemical physics : PCCP 18 (47) (2018)
Alexey V Akimov
A Simple Phase Correction Makes a Big Difference in Nonadiabatic Molecular Dynamics. The journal of physical chemistry letters 9 (20) (2018)
Kosuke Sato, Ekadashi Pradhan, Ryoji Asahi, Alexey V Akimov
Charge transfer dynamics at the boron subphthalocyanine chloride/C60 interface: non-adiabatic dynamics study with Libra-X. Physical chemistry chemical physics : PCCP 20 (39) (2018)
A Nijamudheen, Alexey V Akimov
Criticality of Symmetry in Rational Design of Chalcogenide Perovskites. The journal of physical chemistry letters 9 (1) (2017)
Alexey V Akimov
Stochastic and Quasi-Stochastic Hamiltonians for Long-Time Nonadiabatic Molecular Dynamics. The journal of physical chemistry letters 8 (20) (2017)
Mohamed E Madjet, Golibjon R Berdiyorov, Fedwa El-Mellouhi, Fahhad H Alharbi, Alexey V Akimov, Sabre Kais
Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials. The journal of physical chemistry letters 8 (18) (2017)

Alexey V Akimov.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Alexey V Akimov