A software package for atomic-scale materials modeling using quantum mechanical simulations.
Module name
vasp
VASP is a highly efficient software package used for performing quantum mechanical simulations in materials science. It allows users to study the properties of materials using density functional theory (DFT), and is widely used in research for simulations involving atomic structures, electronic properties, and more. Access to VASP is restricted and requires a valid license.
Applies to
Molecular dynamics & chemistry