CP2K: Difference between revisions
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New page: go back to Main Page, Computational Resources, Chemistry & More, Computational Codes CP2K is a program to perform atomistic and molecular simulations of solid state, liqui... |
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Revision as of 15:39, 28 January 2013
go back to Main Page, Computational Resources, Chemistry & More, Computational Codes
CP2K is a program to perform atomistic and molecular simulations of solid state, liquid, molecular, and biological systems. It provides a general framework for different methods such as e.g., density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW) and classical pair and many-body potentials.
More info at:
http://www.cp2k.org/