Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations
- Research Organization:
- Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- DOE Contract Number:
- SC0001015
- OSTI ID:
- 1161357
- Journal Information:
- J. Phys. Chem. C, Vol. 118; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University
- Country of Publication:
- United States
- Language:
- English
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