All Stories

  1. From predictors and SHAKE toward unified integration scheme for molecular dynamics

    Article • The Journal of Chemical Physics, February 2025, American Institute of Physics

    Jiří Janek

  2. Novel barostat implementation for molecular dynamics

    Article • The Journal of Chemical Physics, May 2024, American Institute of Physics

    Jiří Janek

  3. Novel Gear-like predictor–corrector integration methods for molecular dynamics

    Article • Molecular Physics, October 2019, Taylor & Francis

    Jiří Janek, Jiří Kolafa