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CP2K is a software tool for performing atomistic and molecular simulations. It is used to study the properties of materials, such as their electronic structure, structural stability, and chemical reactivity. CP2K is based on density functional theory (DFT), a computational method for predicting the behavior of electrons in materials based on quantum mechanics. It includes a range of features for performing atomistic simulations, such as calculating energy levels, optimizing structures, and predicting the properties of materials. CP2K is developed by a team of researchers at ETH Zurich in Switzerland and is available for free download for Windows, Linux, and Unix operating systems. It is widely used in research and industry to study the properties of materials and chemical systems.
Operating system: Linux, Windows
License: GNU General Public License
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