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Ergodicity of the hybridization-expansion Monte Carlo algorithm for broken-symmetry states

✍ Scribed by Sémon, P.; Sordi, G.; Tremblay, A.-M. S.

Book ID
125806234
Publisher
The American Physical Society
Year
2014
Tongue
English
Weight
297 KB
Volume
89
Category
Article
ISSN
1098-0121

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A hybrid conformational search algorithm (DMC) is described that combines a modified form of molecular dynamics with Metropolis Monte Carlo sampling, using the COSMIC(9O) force field. Trial configurations are generated by short bursts of high-temperature dynamics in which the initial kinetic energy