期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 124, 期 23, 页码 4557-4582出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpca.0c02249
关键词
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资金
- US National Science Foundation
- US Department of Energy
- US Department of Defense
- US Air Force Office of Scientific Research
Electronic structure theory (especially quantum chemistry) has thrived and has become increasingly relevant to a broad spectrum of scientific endeavors as the sophistication of both computer architectures and software engineering has advanced. This article provides a brief history of advances in both hardware and software, from the early days of IBM mainframes to the current emphasis on accelerators and modern programming practices.
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