Journal
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
Volume 4, Issue 1, Pages 15-25Publisher
WILEY
DOI: 10.1002/wcms.1159
Keywords
-
Funding
- cp2k project
Ask authors/readers for more resources
cp2k has become a versatile open-source tool for the simulation of complex systems on the nanometer scale. It allows for sampling and exploring potential energy surfaces that can be computed using a variety of empirical and first principles models. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern and massively parallel hardware. This review briefly summarizes the main capabilities and illustrates with recent applications the science cp2k has enabled in the field of atomistic simulation. (C) 2013 John Wiley & Sons, Ltd. WIREs Comput Mol Sci 2014, 4:15-25. doi: 10.1002/wcms.1159 The authors have declared no conflicts of interest in relation to this article. For further resources related to this article, please visit the WIREs website.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available