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Title: A charge-optimized many-body potential for the U-UO2-O2 system

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Publication Date:
OSTI Identifier:
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: J. Phys. Condens. Matt.; Journal Volume: 25; Related Information: CALCD partners with Louisiana State University (lead); Clemson University; University of Florida; Georgia Institute of Technology; Grambling State University; Oak Ridge National Laboratory; Ohio State University; Pennsylvania State; Texas A&M University; Vienna University of Technology, Austria; University of Utrecht, Netherlands
Research Org:
Energy Frontier Research Centers (EFRC); Center for Atomic-Level Catalyst Design (CALCD)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
catalysis (heterogeneous), hydrogen and fuel cells, charge transport, carbon capture, carbon sequestration, materials and chemistry by design, synthesis (novel materials)