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Attila Caglar & Michael Griebel 
Numerische Simulation in der Moleküldynamik [PDF ebook] 
Numerik, Algorithmen, Parallelisierung, Anwendungen

Destek

Das Buch behandelt Methoden des wissenschaftlichen Rechnens in der Moleküldynamik, einem Bereich, der in vielen Anwendungen der Chemie, der Biowissenschaften, der Materialwissenschaften, insbesondere der Nanotechnologie, sowie der Astrophysik eine wichtige Rolle spielt. Es führt in die wichtigsten Simulationstechniken zur numerischen Behandlung der Newtonschen Bewegungsgleichungen ein. Der Schwerpunkt liegt hierbei auf der schnellen Auswertung kurz- und langreichweitiger Kräfte mittels Linked Cell-,    P$//3$M-, Baum- und Multipol-Verfahren, sowie deren paralleler Implementierung und Lastbalancierung auf Rechensystemen mit verteiltem Speicher. Die einzelnen Kapitel beinhalten darüberhinaus detailierte Hinweise, um die Verfahren Schritt für Schritt in ein Programmpaket umzusetzen. In zahlreichen farbigen Abbildungen werden Simulationsergebnisse für eine Reihe von Anwendungen präsentiert.

€36.44
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Dil Almanca ● Biçim PDF ● ISBN 9783642187797 ● Yayımcı Springer Berlin Heidelberg ● Yayınlanan 2013 ● İndirilebilir 3 kez ● Döviz EUR ● Kimlik 6322120 ● Kopya koruma Adobe DRM
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