OpenMS is a collection of multiscale solvers for coupled Maxwell-Schrödinger equations in Open quantum environments.
Instructions and scripts for fast and accurate gas-surface dynamics
A Python toolkit for computational chemists to analyze and visualize conical intersection topology. It transforms raw quantum chemistry output into intuitive 3D potential energy surfaces to help predict the outcomes of photochemical reactions. Licensed under GPL-3.0.
Promoted Density Approach for sampling initial conditions for trajectory-based nonadiabatic photodynamics.
Julia scripts run and visualise the H atom scattering from Germanium(111) surface simulation via an 1-D analytical non-adiabatic effects embedded model. Reproduction of the conjugate paper's figures.
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