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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 4, 2005
Ab initio molecular dynamics simulation of a water-hydrogen fluoride equimolar mixtureChristian Simon, Michael L KleinPhysical Chemistry Chemical Physics : PCCP|February 23, 2011
Temperature accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variablesGiovanni Ciccotti, Simone MeloniPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|August 13, 2004
Deterministic and stochastic algorithms for mechanical systems under constraintsGiovanni Ciccotti, Galina KalibaevaThe Journal of Chemical Physics|June 22, 2026
Shadow Hamiltonian in molecular dynamics simulations: Against a possible suggested misuse of its physical meaningCristiano De Michele, Giovanni CiccottiSoft Matter|February 15, 2019
The physics of open systems for the simulation of complex molecular environments in soft matterGiovanni Ciccotti, Luigi Delle SiteThe Journal of Chemical Physics|March 25, 2010
Communications: On the linear response of mechanical systems with constraintsCarsten Hartmann, Christof Schütte, Giovanni CiccottiThe Journal of Chemical Physics|February 15, 2013
Quantum dynamical structure factor of liquid neon via a quasiclassical symmetrized methodMichele Monteferrante, Sara Bonella, Giovanni CiccottiLangmuir : the ACS Journal of Surfaces and Colloids|September 17, 2017
Thermal Diffusion in Binary Mixtures: Transient Behavior and Transport Coefficients from Equilibrium and Nonequilibrium Molecular DynamicsSara Bonella, Mauro Ferrario, Giovanni CiccottiThe Journal of Physical Chemistry. B|November 21, 2025
The Dawn of Alchemical Free-Energy Methods in Biomolecular SimulationsDaniele Macuglia, Giovanni Ciccotti, Benoît RouxThe Journal of Chemical Physics|November 24, 2018
Communication: Constrained molecular dynamics for polarizable modelsAlessandro Coretti, Sara Bonella, Giovanni CiccottiPageof 63