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Supercomputers in Chemistry

✍ Scribed by Peter Lykos and Isaiah Shavitt (Eds.)


Publisher
American Chemical Society
Year
1981
Tongue
English
Leaves
277
Series
ACS Symposium Series 173
Category
Library

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✦ Synopsis



Content: The use of vector processors in quantum chemistry : experience in the United Kingdom / Martyn F. Guest and Stephen Wilson --
The academic computer resources in Japan and their contributions to theoretical chemistry / Katsunori Hijikata --
Supercomputer requirements for theoretical chemistry / Robert B. Walker, P. Jeffrey Hay, and Harold W. Galbraith --
The integration of chemical rate equations on a vector computer / Theodore R. Young and Marie C. Flanigan --
The use of a high-speed vector processor machine for chemical kinetic sensitivity analysis / David Edelson, Linda C. Kaufman, and Daniel D. Warner --
The effect of buoyancy on the thermal ignition of carbon monoxide / Walter W. Jones --
Supercomputers and the problem of organic synthesis / Malcolm Bersohn --
Computer methods of molecular structure elucidation from unknown mass spectra / In Ki Mun and Fred W. McLafferty --
The relative performances of several scientific computers for a liquid molecular dynamics simulation / D.M. Ceperley --
The need for supercomputers in time-dependent polymer simulations / Marvin Bishop, David Ceperley, H.L. Frisch, and M.H. Kalos --
Applications of large-scale computers and computer graphics : investigations of biological macromolecular structure, function, and evolution / Arthur M. Lesk and Karl D. Hardman --
Computer simulation of biomolecular systems / P. Dauber, Murray Goodman, A.T. Hagler, D. Osguthorpe, R. Sharon, and P. Stern --
A micro vector processor for molecular mechanics calculations / David N.J. White --
Programming language for supercomputers / Richard L. Lozes --
The advanced flexible processor, array architecture / Bruce Colton.


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