1. Population annealing molecular dynamics with adaptive temperature steps
- Author
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Martin Weigel, Henrik Christiansen, and Wolfhard Janke
- Subjects
History ,Molecular dynamics ,education.field_of_study ,Materials science ,Annealing (metallurgy) ,Replica ,Monte Carlo method ,Population ,Statistical physics ,education ,Computer Science Applications ,Education - Abstract
Population annealing is a novel generalized-ensemble simulation scheme used in large-scale parallel Monte Carlo simulations of disordered spin systems and similar problems. In a recent publication we proposed a generalization of this method to molecular dynamics simulations of biopolymers. In the present article we review this work and introduce a scheme for automatically choosing the temperature steps based on the observed distribution of potential energies in the population of simulated replica.
- Published
- 2019
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