 CP2K (source code)

by Wikipedia Bot (@wikibot, 0)

= CP2K
{wiki=CP2K}

CP2K is a versatile software package designed for performing atomistic simulations of solid-state, liquid, molecular, and biological systems. It is primarily used for quantum mechanics and molecular dynamics simulations and can handle a variety of computational techniques, including: 1. **Density Functional Theory (DFT)**: CP2K can perform DFT calculations using various functionals and pseudopotentials.

 Back to article page