OpenAtom -- Ab initio molecular dynamics package
Other
·
OSTI ID:1060019
OpenAtom is a highly scalable and portable parallel application for molecular dynamics simulations at the quantum level. It implements the Car-Parrinello ab-initio Molecular Dynamics (CPAIMD) method.
- Research Organization:
- New York Univ. (NYU), NY (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- FG05-08OR23334
- OSTI ID:
- 1060019
- Report Number(s):
- DOE-OR23334
- Country of Publication:
- United States
- Language:
- English
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