VASP Molecular Dynamics

Tutorial-style guide for ab initio molecular dynamics in VASP, including ensembles, time steps, thermostats, and trajectory output.

Citation: VASP Molecular Dynamics. Materials tutorial resource. https://www.vasp.at/wiki/index.php/Molecular_dynamics_calculations

Acknowledgement: Curated by MaterialsAtlas Open Resources from official documentation, tutorial collections, notebooks, workshop materials, and educational resources.