Journal
ACS CENTRAL SCIENCE
Volume 7, Issue 8, Pages 1271-1287Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acscentsci.1c00685
Keywords
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Categories
Funding
- Department of Energy, Basic Energy Sciences (DOE BES) [DE-SC00001815, FWP 30388]
- National Science Foundation (NSF) [DMR-2102406, OAC-1934725]
- National Science Foundation [OAC-2039794, CHE-2001611, ACI-1547580]
- NSF Center for Sustainable Nanotechnology
- U.S. Department of Energy, Office of Science [DE-SC0019432]
- U.S. Department of Energy, Office of Science of Basic Energy Sciences (LANLE8AN)
- U.S. Department of Energy through the Los Alamos National Laboratory
- National Nuclear Security Administration of the U.S. Department of Energy [892333218NCA000001]
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0015448]
- U.S. Department of Energy, Office of Science, Offices of Advanced Scientific Computing Research and Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division [DE-AC02-06CH11357]
- U.S. Department of Energy (DOE) [DE-SC0015448, DE-SC0019432] Funding Source: U.S. Department of Energy (DOE)
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The theory and simulation of systems with realistic complexity and size, evolving across massive time scales, pose a critical challenge that requires an accurate description of many-body interactions. Building upon small-scale science, a new Middle Science integrates modern math and data science with chemical theories, as proposed in this article.
The theory and simulation of systems that have realistic complexity and size and evolve across massive time scales are a critical challenge predicated upon the accurate description of many-body interactions. It builds upon the science of the small to create a new Middle Science whose research vision integrates modern math and data science with chemical theories as proposed in this In Focus article.
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