MaterialsAtlas Software and Tool
i-PI
path-integral-mdcode-couplingmolecular-dynamicspythonsoftware-toolsmaterials-science-software
Python driver for path-integral molecular dynamics and flexible coupling between force engines, including DFT codes, machine-learning potentials, and classical force fields.
Citation: i-PI. Materials science software/tool. https://ipi-code.org/
Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.