NX is a general-purpose program package for simulating the dynamics of electronically excited molecules and molecular assemblies. It is a platform for performing all steps of the simulation, from the generation of the initial conditions to the statistical analysis of the results. The dynamics simulations are based on Mixed quantum-classical methods, which allow including nonadiabatic effects and treating the nuclei in full dimensionality.
Load module (
module add newton-x-2.2) and run the program.
On-line documentation is available.
NX is distributed free of charge for non-commercial non-profit use.