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Appunti di Dinamica Molecolare

book
Language:
Author: Prof. Alfredo Di Nola
Url: http://matisse.chem.uniroma1.it/dispense_dinola.pdf
Format: Pdf
Year: 2006
Category: Molecular Dynamics
Pages: 84
Clicks: 1478

Description
Contenuto: Principio della minima azione o principio di Hamilton; Integrazione delle equazioni del moto; Moto di un sistema sottoposto a vincoli olonomi; Calcolo della pressione - Viriale; Algoritmi per la simulazione in sistemi diversi dal microcanonico; Legge di diffusione di Fick; Calcolo dell’energia libera da simulazioni; Somme di Ewald.

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