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.
|Number of pages||7|
|Journal||Journal of Physics: Conference Series|
|Publication status||Published - 26 Mar 2019|
|Event||Third International Conference on Computer Simulations in Physics and beyond: CSP2018 - Moscow, Russian Federation|
Duration: 24 Sep 2018 → 27 Sep 2018
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ASJC Scopus subject areas
- Physics and Astronomy(all)
Christiansen, H., Weigel, M., & Janke, W. (2019). Population annealing molecular dynamics with adaptive temperature steps. Journal of Physics: Conference Series, 1163(1), . https://doi.org/10.1088/1742-6596/1163/1/012074