OpenMS is a collection of multiscale solvers for coupled Maxwell-Schrödinger equations in Open quantum environments.
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.
Instructions and scripts for fast and accurate gas-surface dynamics
Promoted Density Approach for sampling initial conditions for trajectory-based nonadiabatic photodynamics.
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