Using Nonadiabatic Matsubara (Path-Integral formalism) to predict the charge transfer quantum dynamics.
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Jul 15, 2021 - Fortran
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rpmd
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G96 format based reporter for OpenMM
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Feb 28, 2024 - Python
RPMD code for the paper "Quantum Rates in Dissipative Systems with Spatially Varying Friction", Oli Bridge et al., J. Chem. Phys., 2024. (https://doi.org/10.1063/5.0216823)
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Dec 8, 2024 - Python
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