aenet

The Atomic Energy NETwork (aenet) package is a collection of tools for the construction and application of atomic interaction potentials based on artificial neural networks (ANN). The aenet code allows the accurate interpolation of structural energies, e.g., from electronic structure calculations, using ANNs. ANN potentials generated with aenet can then be used in larger scale atomistic simulations and in situations where extensive sampling is required, e.g., in molecular dynamics or Monte-Carlo simulations.

More Information

For more information visit the aenet website.

Available Versions

These versions of aenet are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.