Transition Path Sampling and other Advanced Simulation Techniques for Rare Events

Autor(en)

Christoph Dellago, Peter G Bolhuis

Abstrakt

Computer simulations of molecular processes such as nucleation in first-order phase transitions or the folding of a protein are often complicated by widely disparate time scales related to important but rare events. Here, we will review several recently developed computational methods designed to address the rare-events problem. In doing so, we will focus on the transition path sampling methodology.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

University of Amsterdam (UvA)

Band

III

Seiten

167-233

Anzahl der Seiten

67

DOI

https://doi.org/10.1007/978-3-540-87706-6_3

Publikationsdatum

2009

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/5169c047-b17f-402e-936a-7e4154171b9f