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DeePMD Application


This app is currently in early testing. It is not advised to use it outside of the Warren Lab.


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.

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