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List of works by Alexey V Akimov

A Simple Phase Correction Makes a Big Difference in Nonadiabatic Molecular Dynamics

article

A comparative analysis of surface hopping acceptance and decoherence algorithms within the neglect of back-reaction approximation

scientific article published on 01 September 2019

Accurate Computation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials

scientific article published on 12 November 2020

Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials.

scientific article published in September 2017

Charge transfer dynamics at the boron subphthalocyanine chloride/C interface: non-adiabatic dynamics study with Libra-X

article

Criticality of Symmetry in Rational Design of Chalcogenide Perovskites.

scientific article published on 23 December 2017

Directed motion of periodically driven molecular motors: A graph-theoretical approach ⬇️

scientific article published on January 14, 2013

Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects.

scientific article published in April 2018

Formulation of quantized Hamiltonian dynamics in terms of natural variables ⬇️

scientific article published on December 14, 2012

Hot Electron Cooling in Silicon Nanoclusters via Landau-Zener Nonadiabatic Molecular Dynamics: Size Dependence and Role of Surface Termination

scientific article published on 07 February 2020

Nonadiabatic Dynamics in Si and CdSe Nanoclusters: Many-Body vs Single-Particle Treatment of Excited States

scientific article published on 15 January 2021

Nonadiabatic Molecular Dynamics with Extended Density Functional Tight-Binding: Application to Nanocrystals and Periodic Solids

scientific article published on 27 June 2022

Scaling relationships for nonadiabatic energy relaxation times in warm dense matter: toward understanding the equation of state

scientific article published on 21 November 2016

Sensitivity field for nonautonomous molecular rotors ⬇️

scientific article published on December 14, 2011

Stochastic and Quasi-Stochastic Hamiltonians for Long-Time Nonadiabatic Molecular Dynamics

scientific article published on 6 October 2017

Supersymmetry and fluctuation relations for currents in closed networks ⬇️

scientific article published on February 11, 2011

Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces ⬇️

scientific article published on April 29, 2013

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