Replica Exchange Method REM | Parallel Tempering | TREM HREM
Автор: The Computational Chemist
Загружено: 2021-02-14
Просмотров: 1884
Replica Exchange Methods, also known as parallel tempering, are a series of enhanced sampling methods that give you the possibility to explore the phase space of a system even in presence of big energy barriers.
Some famous names/techniques are: hamiltonian replica exchange HREM , temperature replica exchange TREM , solute tempering , parallel tempering
Sources and materials:
Orac Molecular Dynamics (MD) program documentation (FREE download)
http://www.chim.unifi.it/orac/
http://www.chim.unifi.it/orac/orac-ma...
Allen, Michael Patrick, and Dominic J. Tildesley. Computer Simulation of Liquids. 2nd ed., Oxford University Press, 2017.
Frenkel, Daan, and Berend Smit. "Understanding molecular simulation: From algorithms to applications." Computational sciences series 1 (2002): 1-638.
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