Newton-X

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Description

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.

Availability

Available modules:

newton-x-2.2

Use

Load module (module add newton-x-2.2) and run the program.

Documentation

On-line documentation is available.

License

NX is distributed free of charge for non-commercial non-profit use.

Program administrator

meta@cesnet.cz

Homepage

URL: https://newtonx.org/