| Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation J Delhommelle, P Millié Molecular Physics 99 (8), 619-625, 2001 | 422 | 2001 |
| Optimization of the anisotropic united atoms intermolecular potential for n-alkanes P Ungerer, C Beauvais, J Delhommelle, A Boutin, B Rousseau, AH Fuchs The Journal of Chemical Physics 112 (12), 5499-5510, 2000 | 344 | 2000 |
| Controlling polymorphism during the crystallization of an atomic fluid C Desgranges, J Delhommelle Physical review letters 98 (23), 235502, 2007 | 130 | 2007 |
| Molecular mechanism for the cross-nucleation between polymorphs C Desgranges, J Delhommelle Journal of the American Chemical Society 128 (32), 10368-10369, 2006 | 130 | 2006 |
| Insights into the molecular mechanism underlying polymorph selection C Desgranges, J Delhommelle Journal of the American Chemical Society 128 (47), 15104-15105, 2006 | 96 | 2006 |
| Derivation of an optimized potential model for phase equilibria (OPPE) for sulfides and thiols J Delhommelle, C Tschirwitz, P Ungerer, G Granucci, P Millie, D Pattou, ... The Journal of Physical Chemistry B 104 (19), 4745-4753, 2000 | 72 | 2000 |
| Molecular insight into the pathway to crystallization of aluminum C Desgranges, J Delhommelle Journal of the American Chemical Society 129 (22), 7012-7013, 2007 | 69 | 2007 |
| Reexamination of string phase and shear thickening in simple fluids J Delhommelle, J Petravic, DJ Evans Physical Review E 68 (3), 031201, 2003 | 67 | 2003 |
| Machine Learning and Deep Learning Algorithms for Skin Cancer Classification from Dermoscopic Images S Bechelli, J Delhommelle Bioengineering 9 (3), 97, 2022 | 61 | 2022 |
| 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), 2009 | 61 | 2009 |
| Comparison of thermostatting mechanisms in NVT and NPT simulations of decane under shear J Delhommelle, DJ Evans The Journal of chemical physics 115 (1), 43-49, 2001 | 59 | 2001 |
| Configurational temperature profile in confined fluids. I. Atomic fluid J Delhommelle, DJ Evans The Journal of Chemical Physics 114 (14), 6229-6235, 2001 | 58 | 2001 |
| 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), 2012 | 56 | 2012 |
| 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 | 55 | 2009 |
| Polymorph selection during the crystallization of Yukawa systems C Desgranges, J Delhommelle The Journal of chemical physics 126 (5), 2007 | 55 | 2007 |
| Should “lane formation” occur systematically in driven liquids and colloids? J Delhommelle Physical Review E 71 (1), 016705, 2005 | 54 | 2005 |
| 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 | 52 | 2008 |
| 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 | 48 | 2010 |
| Molecular simulation of the crystallization of aluminum from the supercooled liquid C Desgranges, J Delhommelle The Journal of chemical physics 127 (14), 2007 | 48 | 2007 |
| 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), 2012 | 47 | 2012 |
Caroline DesgrangesUniversity of Massachusetts LowellVerified email at uml.edu
