Supercomputers in chemistry : based on a symposium cosponsored by the ACS Divisions of Computers in Chemistry, and Physical Chemistry, and the U.S. National Resource for Computation in Chemistry at the Second Chemical Congress of the North American Continent (180th ACS National Meeting), Las Vegas, Nevada, August 26-27, 1980 /

Bibliographic Details
Corporate Authors:	Symposium on Supercomputers and Chemistry Las Vegas, Nev., American Chemical Society. Division of Computers in Chemistry, American Chemical Society. Division of Physical Chemistry, Lawrence Berkeley Laboratory. National Resource for Computation in Chemistry, American Chemical Society. Meeting, Chemical Congress of the North American Continent
Other Authors:	Lykos, Peter, Shavitt, Isaiah, 1925-
Format:	Conference Proceeding eBook
Language:	English
Published:	Washington, D.C. : American Chemical Society, 1981.
Series:	ACS symposium series ; 173.
Subjects:	Chemistry > Data processing > Congresses. Supercomputers > Congresses. Chemistry. Quantum theory. Chemistry, Physical and theoretical. Pharmacokinetics. Mass spectrometry. Polymers. Computer graphics. Microcomputers. Programming languages (Electronic computers) Chemistry Electronic Data Processing Computers Quantum Theory Software Chemistry, Physical Databases as Topic Chemical Phenomena Pharmacokinetics Carbon Monoxide > metabolism Organic Chemicals > chemical synthesis Computer Simulation Mass Spectrometry Kinetics Polymers Computer Graphics Biochemical Phenomena Molecular Biology Microcomputers Programming Languages United Kingdom Japan Chimio-informatique > Congrès. Superordinateurs > Congrès. Chimie. Informatique. Ordinateurs. Théorie quantique. Logiciels. Chimie physique et théorique. Pharmacocinétique. Simulation par ordinateur. Spectrométrie de masse. Polymères. Infographie. Micro-ordinateurs. Langages de programmation. chemistry. computers. software. physical chemistry. simulation. mass spectrometry. polymers. computer graphics. microcomputers. SCIENCE > Chemistry > Clinical. Quantum theory Mass spectrometry Computer graphics Chemistry, Physical and theoretical Chemistry > Data processing Supercomputers Computacao aplicada a quimica. Electronic books. Conference papers and proceedings
Online Access:	Connect to the full text of this electronic book

Table of Contents:

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.