DeePMD Application¶
Danger
This app is currently in early testing. It is not advised to use it outside of the Warren Lab.
About¶
The Deep Potential for Molecular Dynamics (DeePMD) is a software package designed to build machine-learned interatomic potentials using energy and force-field data. When trained on Density Functional Theory (DFT) data, these machine-learned potentials demonstrate significant efficiency in performing molecular dynamics simulations.