Prospects of Transition Interface Sampling simulations for the theoretical study of zeolite synthesis

The transition interface sampling (TIS) technique allows to overcome large free energy barriers within reasonable simulation time, which is impossible for straightforward molecular dynamics. Still, the method does not impose an artificial driving force, but it surmounts the timescale problem by an i...

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Bibliographische Detailangaben

Hauptverfasser:	van Erp, Titus S, Caremans, Tom P, Kirschhock, Christine E. A, Martens, Johan A
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Statistical Mechanics
Online-Zugang:	Volltext bestellen
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