Mathematical Challenges from Theoretical/Computational Chemistry (1995) / Chapter Skim
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Introduction
Introduction
Pages 7-12
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From page 7... ...
Even before the advent of computers as a major component in physical science research, the theoretical tradition in chemistry had accumulated a substantial membership: in its 1966 report entitled Theoretical Chemistry, A Current Review, the Westheimer committee estimated that in 1964, approximately 200 theoretical chemists with faculty appointments in graduate-degree-granting institutions could be identified in the United States (National Research Council, 1966, p.
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From page 8... ...
Advisory Committee for Physics, 1981; Lax, 1982; NSF Working Group on Computers for Research, 1983; National Research Council, 1984~. The pervasive significance and widespread applicability of theoretical and computational chemistry may not always be immediately obvious to those not frequently concerned with this activity.
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From page 9... ...
~ GAMES S Quantum chemistry 2.0 ARGOS Molecular dynamics 1.5 CGCM Coupled ocean-atmosphere global climate model I.5 DMOL Quantum chemistry 1.3 COULMETL Materials science 1.2 | DIEL | Materials science SOURCE: Wayne Pfeiffer, San Diego Supercomputer Center, personal communication. exhaustive.
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From page 10... ...
References Berne, Bruce J., 1985, organizer, Supercomputers in the Simulation and Modeling of Chemical Systems, National Science Foundation workshop, Arden House, Harriman, N.Y., April 26-28.
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From page 11... ...
National Research Council, 1985, Opportunities in Chemistry, National Academy Press, Washington, D.C. National Research Council, 1994, Mathematical Research in Materials Science, National Academy Press, Washington, D.C.
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