Fast and flexible nonadiabatic molecular dynamics in Julia!
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Dec 20, 2024 - Julia
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nonadiabatic
Here are 8 public repositories matching this topic...
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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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