CP2K is a freely available quantum chemistry and solid state physics program package to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.
Availability / Target HPC systems
- Meggie parallel computer (untested)
- TinyGPU (still some build errors …)
Sample job scripts
none yet; please volunteer!
- A. Kahler, RRZE, firstname.lastname@example.org
- AG P. Imhof (Computer Chemistry Center)