Supercomputer and Chemistry: IABG Workshop 1989

✍ Scribed by U. Harms (auth.), Uwe Harms (eds.)

Publisher: Springer-Verlag Berlin Heidelberg
Year: 1990
Tongue: English
Leaves: 141
Edition: 1
Category: Library

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✦ Synopsis

This volume represents the contributions of the 1989 IABG workshop on supercomputers and chemistry.

✦ Table of Contents

Front Matter....Pages i-vii
Supercomputers — The Situation Today....Pages 1-9
Graphic Supercomputing on the Ardent and Stellar Graphics Supercomputers....Pages 11-26
Transputer — A General Survey....Pages 27-43
Transputers in Technical Applications....Pages 45-49
Quantum Chemical Calculations on MIMD Type Computers....Pages 51-67
Parallelizing an SCF program on SUPRENUM....Pages 69-88
Drug Design: A Combination of Experiment and Computational Chemistry....Pages 89-90
Conformational Analysis of Peptides Using Molecular Dynamics....Pages 91-98
The Use of Supercomputers in Medicinal Chemistry Examples from Peptide and Protein Projects....Pages 99-113
Local Density Functional Calculations on Properties of Large Molecules....Pages 115-125
Density Functional Calculations with Simulated Annealing — New Perspectives for Molecular Calculations....Pages 127-142

✦ Subjects

Physical Chemistry;Theoretical and Computational Chemistry;Computer Applications in Chemistry;Processor Architectures;Complexity

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