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The Journal of Chemical Physics|October 3, 2019
A comparative analysis of surface hopping acceptance and decoherence algorithms within the neglect of back-reaction approximationBrendan Smith, Alexey V AkimovThe Journal of Physical Chemistry Letters|January 21, 2020
Hot Electron Cooling in Silicon Nanoclusters via Landau-Zener Nonadiabatic Molecular Dynamics: Size Dependence and Role of Surface TerminationBrendan Smith, Alexey V AkimovThe Journal of Chemical Physics|April 16, 2018
Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effectsBrendan Smith, Alexey V AkimovJournal of Physics. Condensed Matter : an Institute of Physics Journal|October 30, 2019
Modeling nonadiabatic dynamics in condensed matter materials: some recent advances and applicationsBrendan Smith, Alexey V AkimovJournal of Chemical Theory and Computation|January 15, 2021
Nonadiabatic Dynamics in Si and CdSe Nanoclusters: Many-Body vs Single-Particle Treatment of Excited StatesBrendan Smith, Mohammad Shakiba, Alexey V AkimovThe Journal of Physical Chemistry Letters|March 4, 2021
Crystal Symmetry and Static Electron Correlation Greatly Accelerate Nonradiative Dynamics in Lead Halide PerovskitesBrendan Smith, Mohammad Shakiba, Alexey V AkimovThe Journal of Physical Chemistry Letters|October 7, 2017
Stochastic and Quasi-Stochastic Hamiltonians for Long-Time Nonadiabatic Molecular DynamicsAlexey V AkimovThe Journal of Physical Chemistry Letters|November 22, 2024
State Tracking in Nonadiabatic Molecular Dynamics Using Only Forces and EnergiesAlexey V AkimovJournal of Chemical Theory and Computation|November 17, 2025
Toward Community-Driven Benchmarking and Ranking of Nonadiabatic Dynamics MethodologiesAlexey V AkimovThe Journal of Chemical Physics|October 9, 2021
Excited state dynamics in monolayer black phosphorus revisited: Accounting for many-body effectsAlexey V AkimovPageof 11