Replica exchange with nonequilibrium switches
- Resource Type
- Authors
- Christopher Jarzynski; Andrew J. Ballard
- Source
- Proceedings of the National Academy of Sciences. 106:12224-12229
- Subject
- Work (thermodynamics)
Multidisciplinary
Computer science
Replica
Data_MISCELLANEOUS
Monte Carlo method
Non-equilibrium thermodynamics
Model system
Condensed Matter::Disordered Systems and Neural Networks
Kinetics
Models, Chemical
Phase space
Physical Sciences
Computer Simulation
Parallel tempering
Statistical physics
Monte Carlo Method
Algorithms
Computer Science::Distributed, Parallel, and Cluster Computing
- Language
- ISSN
- 1091-6490
0027-8424
We introduce a replica exchange (parallel tempering) method in which attempted configuration swaps are generated using nonequilibrium work simulations. By effectively increasing phase space overlap, this approach mitigates the need for many replicas. We illustrate our method by using a model system and show that it is able to achieve the computational efficiency of ordinary replica exchange, using fewer replicas.