Download CP2K 8.2 Quantum Chemistry Software

July 24, 2021| Chemist
Download CP2K 8.2 Quantum Chemistry Software

CP2K download software free for quantum chemistry and solid state physics. CP2K software performs atomic and atom-dependent simulations in solid, liquid, molecular, periodic, crystalline materials and biological systems.

CP2K provides a general framework for various modeling methods such as DFT using Gaussian in GPW and GAPW. Supported theoretical levels include DFTB, LDA, GGA, MP2, RPA, TDDFT, quasi-experimental methods (AM1, PM3, PM6, RM1, MNDO, …) and classical force fields or classical force fields (AMBER, CHARMM ,…) Becomes.

CP2K can do simulations of molecular dynamics, metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level spectroscopy, energy minimization, and transition state optimization using NEB or dimer method.

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Categories: Chemistry Software

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