期刊
COMPUTING IN SCIENCE & ENGINEERING
卷 14, 期 6, 页码 51-57出版社
IEEE COMPUTER SOC
DOI: 10.1109/MCSE.2012.16
关键词
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资金
- Danish Center for Scientific Computing
- Danish Council for Strategic Research's Programme Commission on Nanoscience, Nanotechnology, Biotechnology, and IT (NABIIT)
- Lundbeck Foundation
- US Department of Energy (DOE)
- Department of Energy, Office of Science
- Office of Basic Energy Sciences through the Early Career Research Program
The possibilities for designing new materials based on quantum physics calculations are rapidly growing, but these design efforts lead to a significant increase in the amount of computational data created. The Computational Materials Repository (CMR) addresses this data challenge and provides a software infrastructure that supports the collection, storage, retrieval, analysis, and sharing of data produced by many electronic-structure simulators.
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