Fast and flexible nonadiabatic molecular dynamics in Julia!
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Nov 17, 2024 - Julia
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nonadiabatic
Here are 8 public repositories matching this topic...
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Updated
Jan 29, 2018 - Python
A python package for Gaussian wave packet dynamics
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Apr 22, 2018 - Jupyter Notebook
XTANT-3: X-ray-induced Thermal And Nonthermal Transitions
monte-carlo
electron-phonon-coupling
free-electron-laser
nonadiabatic
boltzmann-equation
multiscale-modeling
tbmd
laser-irradiation
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Nov 19, 2024 - Fortran
Python package which provides an implementation of a PIMC method that calculates thermodynamic properties of quantum mechanical systems described by vibronic models
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Nov 26, 2018 - Python
Nonadiabatic statistical theory package for predicting kinetics of spin-dependent processes
quantum-chemistry
chemical-kinetics
electronic-structure
molecular-modeling
nonadiabatic
spin-orbit-coupling
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Feb 25, 2022 - Fortran
materials
dynamics
modeling
quantum
photovoltaic
quantum-chemistry
modeling-tools
solar-energy
photochemical-reaction
nonadiabatic
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Aug 2, 2018 - Python
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