All Stories

  1. Future developments for Force Matching

    Article • International Journal of Quantum Chemistry, February 2014, Wiley

    Marco Masia, Dr Paolo Nicolini

  2. On the choice of the empirical potential in molecular simulations

    Article • The Journal of Chemical Physics, November 2013, American Institute of Physics

    Marco Masia, Dr Paolo Nicolini

  3. An extreme dimensional reduction emerging from systems of polynomial differential equations

    Article • The Journal of Chemical Physics, June 2013, American Institute of Physics

    Dr Paolo Nicolini

  4. A novel approach for finding Slow Manifolds in chemical kinetics

    Article • The Journal of Chemical Physics, June 2013, American Institute of Physics

    Dr Paolo Nicolini

  5. Exploiting Configurational Freezing in Nonequilibrium Monte Carlo Simulations

    Article • Journal of Chemical Theory and Computation, February 2011, American Chemical Society (ACS)

    Dr Paolo Nicolini

  6. Hummer and Szabo-like Potential of Mean Force Estimator for Bidirectional Nonequilibrium Pulling Experiments/Simulations

    Article • The Journal of Physical Chemistry B, July 2010, American Chemical Society (ACS)

    Dr Paolo Nicolini, Dr piero procacci

  7. Improving fast-switching free energy estimates by dynamical freezing

    Article • Physical Review E, October 2009, American Physical Society (APS)

    Dr Paolo Nicolini