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.
| Original language | English |
|---|---|
| Article number | 012074 |
| Number of pages | 7 |
| Journal | Journal of Physics: Conference Series |
| Volume | 1163 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 26 Mar 2019 |
| Event | Third International Conference on Computer Simulations in Physics and beyond: CSP2018 - Moscow, Russian Federation Duration: 24 Sept 2018 → 27 Sept 2018 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)