Products: WMI-MD®

Robust molecular dynamics code from WMI

WMI's molecular dynamics package WMI-MD® is a state-of-the-art molecular dynamics simulation package that fully implements the APPLE&P® force field.  WMI-MD is capable of performing simulations using multiple timesteps, in the semi-canonical (NVE), canonical (NVT), and isobaric-isothermal (NPT) ensembles, and in the liquid, solid, or gaseous state.  WMI-MD efficiently simulates systems from a few thousand to hundreds of thousands of atoms. A brief overview of WMI-MD capabilities can be found in our brochure. For additional technical detail about WMI-MD® methodologies, implementations and capabilities we refer you to on-line WMI-MD documentation, or feel free to contact us at

Example applications of WMI-MD® employing APPLE&P® and a partial list of users of the molecular and materials modeling toolscan be found under the Science link.