Supercomputer and Chemistry (eBook, PDF)

IABG Workshop 1989
Redaktion: Harms, Uwe

• Format: PDF

Produktdetails

• Verlag: Springer Berlin Heidelberg
• Seitenzahl: 143
• Erscheinungstermin: 6. Dezember 2012
• Englisch
• ISBN-13: 9783642759178
• Artikelnr.: 53330024

Inhaltsangabe

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.