Caroline Desgranges
Title
Cited by
Cited by
Year
Molecular mechanism for the cross-nucleation between polymorphs
C Desgranges, J Delhommelle
Journal of the American Chemical Society 128 (32), 10368-10369, 2006
1082006
Controlling polymorphism during the crystallization of an atomic fluid
C Desgranges, J Delhommelle
Physical review letters 98 (23), 235502, 2007
962007
Insights into the molecular mechanism underlying polymorph selection
C Desgranges, J Delhommelle
Journal of the American Chemical Society 128 (47), 15104-15105, 2006
832006
Molecular insight into the pathway to crystallization of aluminum
C Desgranges, J Delhommelle
Journal of the American Chemical Society 129 (22), 7012-7013, 2007
612007
Phase equilibria of molecular fluids via hybrid Monte Carlo Wang–Landau simulations: Applications to benzene and n-alkanes
C Desgranges, J Delhommelle
The Journal of chemical physics 130 (24), 244109, 2009
542009
Molecular simulation of the nucleation and growth of gold nanoparticles
C Desgranges, J Delhommelle
The Journal of Physical Chemistry C 113 (9), 3607-3611, 2009
492009
Polymorph selection during the crystallization of Yukawa systems
C Desgranges, J Delhommelle
The Journal of chemical physics 126 (5), 054501, 2007
482007
Crystallization mechanisms for supercooled liquid Xe at high pressure and temperature: Hybrid Monte Carlo molecular simulations
C Desgranges, J Delhommelle
Physical Review B 77 (5), 054201, 2008
472008
Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. I. Thermodynamic properties in the bulk and at the liquid-vapor phase boundary
C Desgranges, J Delhommelle
The Journal of chemical physics 136 (18), 184107, 2012
462012
Vapor–liquid equilibria of copper using hybrid Monte Carlo Wang—Landau simulations
T Aleksandrov, C Desgranges, J Delhommelle
Fluid Phase Equilibria 287 (2), 79-83, 2010
442010
Molecular simulation of the crystallization of aluminum from the supercooled liquid
C Desgranges, J Delhommelle
The Journal of chemical physics 127 (14), 144509, 2007
412007
Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. II. Adsorption of atomic and molecular fluids in a porous material
C Desgranges, J Delhommelle
The Journal of chemical physics 136 (18), 184108, 2012
392012
Role of liquid polymorphism during the crystallization of Silicon
C Desgranges, J Delhommelle
Journal of the American Chemical Society 133 (9), 2872-2874, 2011
372011
Molecular simulation of cross-nucleation between polymorphs
C Desgranges, J Delhommelle
The Journal of Physical Chemistry B 111 (6), 1465-1469, 2007
332007
Phase equilibria of polyaromatic hydrocarbons by hybrid Monte Carlo Wang–Landau simulations
C Desgranges, JM Hicks, A Magness, J Delhommelle
Molecular Physics 108 (2), 151-158, 2010
302010
Viscosity of liquid iron under high pressure and high temperature: Equilibrium and nonequilibrium molecular dynamics simulation studies
C Desgranges, J Delhommelle
Physical Review B 76 (17), 172102, 2007
292007
Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. III. Impact of combining rules on mixtures properties
C Desgranges, J Delhommelle
The Journal of Chemical Physics 140 (10), 104109, 2014
282014
Molecular simulation of transport in nanopores: Application of the transient-time correlation function formalism
C Desgranges, J Delhommelle
Physical Review E 77 (2), 027701, 2008
232008
Optimisation of multiple time-step hybrid Monte Carlo Wang–Landau simulations in the isobaric–isothermal ensemble for the determination of phase equilibria
C Desgranges, EA Kastl, T Aleksandrov, J Delhommelle
Molecular Simulation 36 (7-8), 544-551, 2010
222010
Rheology of liquid fcc metals: Equilibrium and transient-time correlation-function nonequilibrium molecular dynamics simulations
C Desgranges, J Delhommelle
Physical Review B 78 (18), 184202, 2008
222008
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Articles 1–20