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Communications Chemistry|September 27, 2025
Deciphering the complexities of crystalline state(s) with molecular simulationsCaroline Desgranges, Jerome DelhommelleJournal of the American Chemical Society|August 10, 2006
Molecular mechanism for the cross-nucleation between polymorphsCaroline Desgranges, Jerome DelhommelleThe Journal of Chemical Physics|September 24, 2018
Communication: Existence and control of liquid polymorphism in methanol under shearCaroline Desgranges, Jerome DelhommelleSoft Matter|June 19, 2018
Non-monotonic variations of the nucleation free energy in a glass-forming ultra-soft particles fluidCaroline Desgranges, Jerome DelhommelleThe Journal of Physical Chemistry. B|February 27, 2014
Thermodynamics of phase coexistence and metal-nonmetal transition in mercury: assessment of effective potentials via expanded Wang-Landau simulationsCaroline Desgranges, Jerome DelhommelleThe Journal of Chemical Physics|March 5, 2008
Shear viscosity of liquid copper at experimentally accessible shear rates: application of the transient-time correlation function formalismCaroline Desgranges, Jerome DelhommelleThe Journal of Chemical Physics|July 2, 2009
Phase equilibria of molecular fluids via hybrid Monte Carlo Wang-Landau simulations: applications to benzene and n-alkanesCaroline Desgranges, Jerome DelhommelleThe Journal of Chemical Physics|March 2, 2022
Entropy determination for mixtures in the adiabatic grand-isobaric ensembleCaroline Desgranges, Jerome DelhommelleThe Journal of Chemical Physics|December 3, 2016
Free energy calculations along entropic pathways. I. Homogeneous vapor-liquid nucleation for atomic and molecular systemsCaroline Desgranges, Jerome DelhommelleThe Journal of Chemical Physics|November 17, 2016
Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. V. Impact of an electric field on the thermodynamic properties and ideality contours of waterCaroline Desgranges, Jerome DelhommellePageof 6