Investigating Rare Events by Transition Interface Sampling
arXiv:cond-mat/0311571 · doi:10.1016/j.physa.2004.04.033
Abstract
We briefly review simulation schemes for the investigation of rare transitions and we resume the recently introduced Transition Interface Sampling, a method in which the computation of rate constants is recast into the computation of fluxes through interfaces dividing the reactant and product state.
12 pages, 1 figure, contributed paper to the proceedings of NEXT 2003, Second Sardinian International Conference on News and Expectations in Thermostatistics, 21-28 Sep 2003, Cagliari (Italy)
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- Practical guide to replica exchange transition interface sampling and forward flux sampling
- Reaction coordinates and rate constants for liquid droplet nucleation: quantifying the interplay between driving force and memory
- Efficient path sampling on multiple reaction channels
- Rate constants in spatially inhomogeneous systems
- Pathways of activated escape in periodically modulated systems
- Stochastic dynamics of model proteins on a directed graph
- Microscopically Computing Free-energy Profiles and Transition Path Time of Rare Macromolecular Transitions
- Transition Path and Interface Sampling of Stochastic Schrödinger Dynamics
- Combining multiple interface set path ensembles with MBAR reweighting
- NATPS: Nonadiabatic Transition Path Sampling Using Time-Reversible MASH Dynamics
- A Mathematical Theory of Optimal Milestoning (with a Detour via Exact Milestoning)