Transition Path Sampling and other Advanced Simulation Techniques for Rare Events

Author(s)
Christoph Dellago, Peter G Bolhuis
Abstract

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(s)
Computational and Soft Matter Physics
External organisation(s)
University of Amsterdam (UvA)
Volume
III
Pages
167-233
No. of pages
67
DOI
https://doi.org/10.1007/978-3-540-87706-6_3
Publication date
2009
Austrian Fields of Science 2012
1030 Physics, Astronomy
Portal url
https://ucrisportal.univie.ac.at/en/publications/5169c047-b17f-402e-936a-7e4154171b9f