Population annealing molecular dynamics with adaptive temperature steps

Henrik Christiansen, Martin Weigel, Wolfhard Janke

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    6 Citations (Scopus)
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    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 languageEnglish
    Article number012074
    Number of pages7
    JournalJournal of Physics: Conference Series
    Issue number1
    Publication statusPublished - 26 Mar 2019
    EventThird International Conference on Computer Simulations in Physics and beyond: CSP2018 - Moscow, Russian Federation
    Duration: 24 Sept 201827 Sept 2018

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    ASJC Scopus subject areas

    • Physics and Astronomy(all)


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