All Stories

  1. Deep learning the slow modes for rare events sampling

    Article • Proceedings of the National Academy of Sciences, October 2021, Proceedings of the National Academy of Sciences

    Pro Michele Parrinello

  2. Calculation of phase diagrams in the multithermal-multibaric ensemble

    Article • The Journal of Chemical Physics, June 2019, American Institute of Physics

    Pro Michele Parrinello

  3. A local fingerprint for hydrophobicity and hydrophilicity: From methane to peptides

    Article • The Journal of Chemical Physics, May 2019, American Institute of Physics

    Pro Michele Parrinello

  4. Improving collective variables: The case of crystallization

    Article • The Journal of Chemical Physics, March 2019, American Institute of Physics

    Pro Michele Parrinello

  5. Folding a small protein using harmonic linear discriminant analysis

    Article • The Journal of Chemical Physics, November 2018, American Institute of Physics

    Pro Michele Parrinello

  6. Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint

    Article • Annual Review of Physical Chemistry, May 2016, Annual Reviews

    Pro Michele Parrinello

  7. Metadynamics studies of crystal nucleation

    Article • IUCrJ, February 2015, International Union of Crystallography

    Pro Michele Parrinello

  8. Aqueous solutions: state of the art in ab initio molecular dynamics

    Article • Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences, February 2014, Royal Society Publishing

    Pro Michele Parrinello