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Caroline Desgranges
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Controlling polymorphism during the crystallization of an atomic fluid
C Desgranges, J Delhommelle
Physical review letters 98 (23), 235502, 2007
1302007
Molecular mechanism for the cross-nucleation between polymorphs
C Desgranges, J Delhommelle
Journal of the American Chemical Society 128 (32), 10368-10369, 2006
1302006
Insights into the molecular mechanism underlying polymorph selection
C Desgranges, J Delhommelle
Journal of the American Chemical Society 128 (47), 15104-15105, 2006
962006
Molecular insight into the pathway to crystallization of aluminum
C Desgranges, J Delhommelle
Journal of the American Chemical Society 129 (22), 7012-7013, 2007
692007
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
612009
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
562012
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
552009
Polymorph selection during the crystallization of Yukawa systems
C Desgranges, J Delhommelle
The Journal of chemical physics 126 (5), 054501, 2007
552007
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
522008
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
482010
Molecular simulation of the crystallization of aluminum from the supercooled liquid
C Desgranges, J Delhommelle
The Journal of chemical physics 127 (14), 144509, 2007
482007
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
472012
Role of liquid polymorphism during the crystallization of Silicon
C Desgranges, J Delhommelle
Journal of the American Chemical Society 133 (9), 2872-2874, 2011
462011
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
382014
Molecular simulation of cross-nucleation between polymorphs
C Desgranges, J Delhommelle
The Journal of Physical Chemistry B 111 (6), 1465-1469, 2007
372007
Unusual Crystallization Behavior Close to the Glass Transition
C Desgranges, J Delhommelle
Physical review letters 120 (11), 115701, 2018
332018
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
322010
Scaling Laws and Critical Properties for fcc and hcp Metals
C Desgranges, L Widhalm, J Delhommelle
The Journal of Physical Chemistry B 120 (23), 5255-5261, 2016
312016
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
312008
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
302007
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