Supercomputer and Chemistry (eBook)

Supercomputers - The Situation Today.- Graphic Supercomputing on the Ardent and Stellar Graphics Supercomputers.- Transputer - A General Survey.- Transputers in Technical Applications.- Quantum Chemical Calculations on MIMD Type Computers.- Parallelizing an SCF Program on SUPRENUM.- Drug Design: A Combination of Experiment and Computational Chemistry.- Conformational Analysis of Peptides Using Molecular Dynamics.- The Use of Supercomputers in Medicinal Chemistry Examples from Peptide and Protein Projects.- Local Density Functional Calculations on Properties of Large Molecules.- Density Functional Calculations with Simulated Annealing - New Perspectives for Molecular Calculations.- Authors' Index.