Lokale Wechselwirkungspotentiale zur Simulation von Wasser und wässrigen Lösungen View Full Text


Ontology type: schema:Chapter     


Chapter Info

DATE

1987

AUTHORS

Philippe Bopp

ABSTRACT

Klassisch können die hier angesprochenen Monte Carlo- (MC) und Molekular-dynamische- (MD) Simulationsmethoden aus zwei Gründen genannt werden: Zum einen sind sie die ältesten Simulationsmethoden in der chemischen Forschung. Sie gehen zurück auf die Arbeiten von Metropolis und Mitarbeitern [1] sowie von Alder und Wainwright [2] in den fünfziger Jahren. Ihre Weiterentwicklung erfolgte parallel zur Entwicklung moderner Großrechner und waren teilweise auch Ansporn und Motivation zu deren Weiterentwicklung., insbesondere zur Steigerung der Rechengeschwindigkeit. More... »

PAGES

69-98

References to SciGraph publications

Book

TITLE

Software-Entwicklung in der Chemie 1

ISBN

978-3-540-18465-2
978-3-642-73080-1

Author Affiliations

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/978-3-642-73080-1_9

DOI

http://dx.doi.org/10.1007/978-3-642-73080-1_9

DIMENSIONS

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