Illustration of transition path theory on a collection of simple examples

被引:157
作者
Metzner, Philipp
Schuette, Christof
Vanden-Eijnden, Eric
机构
[1] Free Univ Berlin, Dept Math & Comp Sci, D-14195 Berlin, Germany
[2] NYU, Courant Inst Math Sci, New York, NY 10012 USA
基金
美国国家科学基金会;
关键词
D O I
10.1063/1.2335447
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Transition path theory (TPT) has been recently introduced as a theoretical framework to describe the reaction pathways of rare events between long lived states in complex systems. TPT gives detailed statistical information about the reactive trajectories involved in these rare events, which are beyond the realm of transition state theory or transition path sampling. In this paper the TPT approach is outlined, its distinction from other approaches is discussed, and, most importantly, the main insights and objects provided by TPT are illustrated in detail via a series of low dimensional test problems. (c) 2006 American Institute of Physics.
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页数:17
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