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The Journal of Physical Chemistry Letters
|
October 7, 2017
Stochastic and Quasi-Stochastic Hamiltonians for Long-Time Nonadiabatic Molecular Dynamics
Alexey V Akimov
The Journal of Physical Chemistry Letters
|
November 22, 2024
State Tracking in Nonadiabatic Molecular Dynamics Using Only Forces and Energies
Alexey V Akimov
Journal of Chemical Theory and Computation
|
November 17, 2025
Toward Community-Driven Benchmarking and Ranking of Nonadiabatic Dynamics Methodologies
Alexey V Akimov
The Journal of Chemical Physics
|
October 9, 2021
Excited state dynamics in monolayer black phosphorus revisited: Accounting for many-body effects
Alexey V Akimov
The Journal of Physical Chemistry Letters
|
December 16, 2021
Extending the Time Scales of Nonadiabatic Molecular Dynamics via Machine Learning in the Time Domain
Alexey V Akimov
Journal of Computational Chemistry
|
March 27, 2016
Libra: An open-Source "methodology discovery" library for quantum and classical dynamics simulations
Alexey V Akimov
The Journal of Physical Chemistry Letters
|
October 6, 2018
A Simple Phase Correction Makes a Big Difference in Nonadiabatic Molecular Dynamics
Alexey V Akimov
The Journal of Chemical Physics
|
November 3, 2025
Stable direct dynamics with quantum potential: Lorentzian trajectory basis function is all you need
Alexey V Akimov
Journal of Chemical Theory and Computation
|
December 14, 2016
Nonadiabatic Molecular Dynamics with Tight-Binding Fragment Molecular Orbitals
Alexey V Akimov
The Journal of Physical Chemistry Letters
|
December 18, 2023
Energy-Conserving and Thermally Corrected Neglect of Back-Reaction Approximation Method for Nonadiabatic Molecular Dynamics
Alexey V Akimov
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Search research articles
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Showing results (1-10 of 68) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry Letters
|
October 7, 2017
Stochastic and Quasi-Stochastic Hamiltonians for Long-Time Nonadiabatic Molecular Dynamics
Alexey V Akimov
The Journal of Physical Chemistry Letters
|
November 22, 2024
State Tracking in Nonadiabatic Molecular Dynamics Using Only Forces and Energies
Alexey V Akimov
Journal of Chemical Theory and Computation
|
November 17, 2025
Toward Community-Driven Benchmarking and Ranking of Nonadiabatic Dynamics Methodologies
Alexey V Akimov
The Journal of Chemical Physics
|
October 9, 2021
Excited state dynamics in monolayer black phosphorus revisited: Accounting for many-body effects
Alexey V Akimov
The Journal of Physical Chemistry Letters
|
December 16, 2021
Extending the Time Scales of Nonadiabatic Molecular Dynamics via Machine Learning in the Time Domain
Alexey V Akimov
Journal of Computational Chemistry
|
March 27, 2016
Libra: An open-Source "methodology discovery" library for quantum and classical dynamics simulations
Alexey V Akimov
The Journal of Physical Chemistry Letters
|
October 6, 2018
A Simple Phase Correction Makes a Big Difference in Nonadiabatic Molecular Dynamics
Alexey V Akimov
The Journal of Chemical Physics
|
November 3, 2025
Stable direct dynamics with quantum potential: Lorentzian trajectory basis function is all you need
Alexey V Akimov
Journal of Chemical Theory and Computation
|
December 14, 2016
Nonadiabatic Molecular Dynamics with Tight-Binding Fragment Molecular Orbitals
Alexey V Akimov
The Journal of Physical Chemistry Letters
|
December 18, 2023
Energy-Conserving and Thermally Corrected Neglect of Back-Reaction Approximation Method for Nonadiabatic Molecular Dynamics
Alexey V Akimov
Page
of 7