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The Journal of Physical Chemistry. B|May 19, 2025
On the Possibility of Chiral Symmetry Breaking in Liquid Hydrogen PeroxideRoberto Menta, Pablo G Debenedetti, Roberto Car, et al.
The Journal of Chemical Physics|December 24, 2015
A perturbative solution to metadynamics ordinary differential equationPratyush Tiwary, James F Dama, Michele Parrinello
Physical Review Letters|February 11, 2022
Prediction of a Supersolid Phase in High-Pressure DeuteriumChang Woo Myung, Barak Hirshberg, Michele Parrinello
Physical Review Letters|December 21, 2011
Hydrogen oxidation reaction at the Ni/YSZ anode of solid oxide fuel cells from first principlesClotilde S Cucinotta, Marco Bernasconi, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America|March 20, 2012
Using sketch-map coordinates to analyze and bias molecular dynamics simulationsGareth A Tribello, Michele Ceriotti, Michele Parrinello
The Journal of Physical Chemistry. B|February 24, 2006
Ab initio molecular dynamics study of heterogeneous oxidation of graphite by means of gas-phase nitric acidAntonio Rodríguez-Fortea, Marcella Iannuzzi, Michele Parrinello
Journal of Chemical Theory and Computation|November 26, 2015
Replica Temperatures for Uniform Exchange and Efficient Roundtrip Times in Explicit Solvent Parallel Tempering SimulationsMeher K Prakash, Alessandro Barducci, Michele Parrinello
The Journal of Physical Chemistry. B|April 30, 2009
Binding of calcium and carbonate to polyacrylatesGareth A Tribello, CheeChin Liew, Michele Parrinello
The Journal of Chemical Physics|February 26, 2009
Isothermal-isobaric molecular dynamics using stochastic velocity rescalingGiovanni Bussi, Tatyana Zykova-Timan, Michele Parrinello
The Journal of Chemical Physics|March 3, 2011
Accelerating the convergence of path integral dynamics with a generalized Langevin equationMichele Ceriotti, David E Manolopoulos, Michele Parrinello
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