Novel Computer Architectures and Quantum Chemistry
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Date
Authors
Gordon, Mark S
Barca, Giuseppe Maria Junior
Leang, Sarom S.
Poole, David
Rendell, Alistair P.
Vallejo, Jorge L. Galvez
Westheimer, Bryce
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American Chemical Society
Abstract
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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Journal of Physical Chemistry A
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Restricted until
2099-12-31