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The Journal of Physical Chemistry Letters|July 22, 2016
Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water WiresMariana Rossi, Michele Ceriotti, David E ManolopoulosThe Journal of Chemical Physics|June 23, 2014
How to remove the spurious resonances from ring polymer molecular dynamicsMariana Rossi, Michele Ceriotti, David E ManolopoulosPhysical Review Letters|September 26, 2012
Efficient first-principles calculation of the quantum kinetic energy and momentum distribution of nucleiMichele Ceriotti, David E ManolopoulosThe Journal of Chemical Physics|March 3, 2011
Accelerating the convergence of path integral dynamics with a generalized Langevin equationMichele Ceriotti, David E Manolopoulos, Michele ParrinelloThe Journal of Chemical Physics|March 17, 2018
Fine tuning classical and quantum molecular dynamics using a generalized Langevin equationMariana Rossi, Venkat Kapil, Michele CeriottiPhysical Review Letters|September 24, 2016
Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of ParacetamolMariana Rossi, Piero Gasparotto, Michele CeriottiProceedings of the National Academy of Sciences of the United States of America|September 10, 2013
Nuclear quantum effects and hydrogen bond fluctuations in waterMichele Ceriotti, Jérôme Cuny, Michele Parrinello, et al.The Journal of Chemical Physics|October 5, 2010
Efficient stochastic thermostatting of path integral molecular dynamicsMichele Ceriotti, Michele Parrinello, Thomas E Markland, et al.The Journal of Chemical Physics|December 22, 2022
A smooth basis for atomistic machine learningFilippo Bigi, Kevin K Huguenin-Dumittan, Michele Ceriotti, et al.The Journal of Chemical Physics|March 17, 2018
Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperatureYair Litman, Davide Donadio, Michele Ceriotti, et al.Pageof 26