Transition path sampling and other advanced simulation techniques for rare events

Authors
Publication date 2009
Host editors
  • C. Holm
  • K. Kremer
Book title Advanced computer simulation approaches for soft matter sciences III
ISBN
  • 9783540877059
Series Advances in polymer science, 221
Pages (from-to) 167-233
Number of pages 237
Publisher Berlin: Springer
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
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 sev eral recently developed computational methods designed to address the rare-events problem. In doing so, we will focus on the transition path sampling methodology.
Document type Chapter
Published at https://doi.org/10.1007/978-3-540-87706-6_3
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