| Year |
Citation |
Score |
| 2020 |
Desgranges C, Delhommelle J. Entropy in Molecular Fluids: Interplay between Interaction Complexity and Criticality. The Journal of Physical Chemistry. B. PMID 33267580 DOI: 10.1021/acs.jpcb.0c08014 |
0.33 |
|
| 2020 |
Desgranges C, Delhommelle J. Unraveling liquid polymorphism in silicon driven out-of-equilibrium. The Journal of Chemical Physics. 153: 054502. PMID 32770876 DOI: 10.1063/5.0015417 |
0.376 |
|
| 2019 |
Desgranges C, Delhommelle J. Can Ordered Precursors Promote the Nucleation of Solid Solutions? Physical Review Letters. 123: 195701. PMID 31765200 DOI: 10.1103/Physrevlett.123.195701 |
0.341 |
|
| 2019 |
Desgranges C, Delhommelle J. Stabilization of Nanobubbles under Hydrophobic Confinement The Journal of Physical Chemistry C. 123: 11707-11713. DOI: 10.1021/Acs.Jpcc.9B01440 |
0.374 |
|
| 2019 |
Groven SD, Desgranges C, Delhommelle J. Prediction of the boiling and critical points of polycyclic aromatic hydrocarbons via Wang-Landau simulations and machine learning Fluid Phase Equilibria. 484: 225-231. DOI: 10.1016/J.Fluid.2018.11.030 |
0.389 |
|
| 2019 |
Valencia-Jaime I, Desgranges C, Delhommelle J. Viscosity of a highly compressed methylated alkane via equilibrium and nonequilibrium molecular dynamics simulations Chemical Physics Letters. 719: 103-109. DOI: 10.1016/J.Cplett.2019.01.041 |
0.409 |
|
| 2019 |
Desgranges C, Delhommelle J. Determination of mixture properties via a combined Expanded Wang-Landau simulations-Machine Learning approach Chemical Physics Letters. 715: 1-6. DOI: 10.1016/J.Cplett.2018.11.009 |
0.323 |
|
| 2018 |
Desgranges C, Delhommelle J. Communication: Existence and control of liquid polymorphism in methanol under shear. The Journal of Chemical Physics. 149: 111101. PMID 30243290 DOI: 10.1063/1.5052376 |
0.386 |
|
| 2018 |
Desgranges C, Delhommelle J. Prediction of the phase equilibria for island-type asphaltenes via HMC-WL simulations. The Journal of Chemical Physics. 149: 072307. PMID 30134691 DOI: 10.1063/1.5023810 |
0.411 |
|
| 2018 |
Desgranges C, Delhommelle J. A new approach for the prediction of partition functions using machine learning techniques. The Journal of Chemical Physics. 149: 044118. PMID 30068165 DOI: 10.1063/1.5037098 |
0.418 |
|
| 2018 |
Desgranges C, Delhommelle J. Non-monotonic variations of the nucleation free energy in a glass-forming ultra-soft particles fluid. Soft Matter. PMID 29911716 DOI: 10.1039/C8Sm00887F |
0.382 |
|
| 2018 |
Desgranges C, Delhommelle J. Modeling antigen-antibody nanoparticle bioconjugates and their polymorphs. The Journal of Chemical Physics. 148: 124507. PMID 29604830 DOI: 10.1063/1.5018855 |
0.311 |
|
| 2018 |
Desgranges C, Delhommelle J. Unusual Crystallization Behavior Close to the Glass Transition. Physical Review Letters. 120: 115701. PMID 29601768 DOI: 10.1103/Physrevlett.120.115701 |
0.34 |
|
| 2018 |
Desgranges C, Delhommelle J. Crystal nucleation along an entropic pathway: Teaching liquids how to transition Physical Review E. 98. DOI: 10.1103/Physreve.98.063307 |
0.465 |
|
| 2018 |
Desgranges C, Delhommelle J. Calculating free energy profiles using entropy as a reaction coordinate: Application to water nucleation Chemical Physics Letters. 695: 194-199. DOI: 10.1016/J.Cplett.2018.02.026 |
0.349 |
|
| 2017 |
Bechelli S, Gonzalez B, Piquet V, Essafri I, Desgranges C, Delhommelle J. Free Energy of Nucleation and Interplay Between Size and Composition in CuNi Systems. The Journal of Physical Chemistry. B. PMID 28812896 DOI: 10.1021/Acs.Jpcb.7B06028 |
0.342 |
|
| 2017 |
Desgranges C, Delhommelle J. Free energy calculations along entropic pathways. III. Nucleation of capillary bridges and bubbles The Journal of Chemical Physics. 146: 184104. DOI: 10.1063/1.4982943 |
0.383 |
|
| 2017 |
Gopalsamy K, Desgranges C, Delhommelle J. Selectivity and Desorption Free Energies for Methane–Ethane Mixtures in Covalent Organic Frameworks The Journal of Physical Chemistry C. 121: 24692-24700. DOI: 10.1021/Acs.Jpcc.7B09003 |
0.35 |
|
| 2017 |
Desgranges C, Delhommelle J. Benchmark Free Energies and Entropies for Saturated and Compressed Water Journal of Chemical & Engineering Data. 62: 4032-4040. DOI: 10.1021/Acs.Jced.7B00753 |
0.407 |
|
| 2017 |
Desgranges C, Delhommelle J. Coarse-Grained Model and Boiling Point Prediction for Asphaltene Model Compounds via HMC-WL Simulations Energy & Fuels. 31: 10699-10705. DOI: 10.1021/Acs.Energyfuels.7B01862 |
0.404 |
|
| 2017 |
Gonzalez B, Bechelli S, Essafri I, Piquet V, Desgranges C, Delhommelle J. Competition between crystalline and icosahedral order during crystal growth in bimetallic systems Journal of Crystal Growth. 478: 22-27. DOI: 10.1016/J.Jcrysgro.2017.08.022 |
0.326 |
|
| 2017 |
Desgranges C, Delhommelle J. Similarity law and critical properties in ionic systems. Chemical Physics Letters. 687: 9-13. DOI: 10.1016/J.Cplett.2017.08.061 |
0.366 |
|
| 2017 |
Desgranges C, Delhommelle J. Ginzburg-Landau free energy for molecular fluids: Determination and coarse-graining Chemical Physics Letters. 669: 218-223. DOI: 10.1016/J.Cplett.2016.12.052 |
0.382 |
|
| 2016 |
Desgranges C, Delhommelle J. Free energy calculations along entropic pathways. II. Droplet nucleation in binary mixtures. The Journal of Chemical Physics. 145: 234505. PMID 27984874 DOI: 10.1063/1.4972011 |
0.428 |
|
| 2016 |
Desgranges C, Delhommelle J. Free energy calculations along entropic pathways. I. Homogeneous vapor-liquid nucleation for atomic and molecular systems. The Journal of Chemical Physics. 145: 204112. PMID 27908118 DOI: 10.1063/1.4968231 |
0.459 |
|
| 2016 |
Desgranges C, Anderson PW, Delhommelle J. Classical and quantum many-body effects on the critical properties and thermodynamic regularities of silicon. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 29: 045401. PMID 27875329 DOI: 10.1088/1361-648X/29/4/045401 |
0.318 |
|
| 2016 |
Desgranges C, Delhommelle J. 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 water. The Journal of Chemical Physics. 145: 184504. PMID 27846699 DOI: 10.1063/1.4967336 |
0.397 |
|
| 2016 |
Desgranges C, Huber L, Delhommelle J. Impact of Friedel oscillations on vapor-liquid equilibria and supercritical properties in two and three dimensions. Physical Review. E. 94: 012612. PMID 27575184 DOI: 10.1103/Physreve.94.012612 |
0.329 |
|
| 2016 |
Desgranges C, Widhalm L, Delhommelle J. Scaling Laws and Critical Properties for FCC and HCP Metals. The Journal of Physical Chemistry. B. PMID 27228416 DOI: 10.1021/Acs.Jpcb.6B04121 |
0.354 |
|
| 2016 |
Desgranges C, Delhommelle J. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon. The Journal of Chemical Physics. 144: 124510. PMID 27036464 DOI: 10.1063/1.4944619 |
0.443 |
|
| 2016 |
Desgranges C, Delhommelle J. Effect of the Composition on the Free Energy of Crystal Nucleation for CuPd Nanoalloys The Journal of Physical Chemistry C. 120: 27657-27664. DOI: 10.1021/Acs.Jpcc.6B09672 |
0.344 |
|
| 2016 |
Desgranges C, Margo A, Delhommelle J. Ideality contours and thermodynamic regularities in supercritical molecular fluids Chemical Physics Letters. 658: 37-42. DOI: 10.1016/J.Cplett.2016.06.021 |
0.425 |
|
| 2015 |
Desgranges C, Delhommelle J. Many-Body Effects on the Thermodynamics of Fluids, Mixtures, and Nanoconfined Fluids. Journal of Chemical Theory and Computation. 11: 5401-14. PMID 26574329 DOI: 10.1021/Acs.Jctc.5B00693 |
0.377 |
|
| 2015 |
Delhommelle J. Recent advances in the molecular simulation of chemical reactions Molecular Simulation. 41: 1-2. DOI: 10.1080/08927022.2014.954427 |
0.344 |
|
| 2015 |
Owen AN, Desgranges C, Delhommelle J. A new force field for H<inf>2</inf>S and its binary and ternary mixtures with CO<inf>2</inf> and CH<inf>4</inf> Fluid Phase Equilibria. 402: 69-77. DOI: 10.1016/J.Fluid.2015.05.034 |
0.406 |
|
| 2014 |
Desgranges C, Delhommelle J. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. III. Impact of combining rules on mixtures properties. The Journal of Chemical Physics. 140: 104109. PMID 24628154 DOI: 10.1063/1.4867498 |
0.435 |
|
| 2014 |
Desgranges C, Delhommelle J. Thermodynamics of phase coexistence and metal-nonmetal transition in mercury: assessment of effective potentials via expanded Wang-Landau simulations. The Journal of Physical Chemistry. B. 118: 3175-82. PMID 24568658 DOI: 10.1021/Jp500577T |
0.438 |
|
| 2014 |
Desgranges C, Delhommelle J. Unraveling the coupling between demixing and crystallization in mixtures. Journal of the American Chemical Society. 136: 8145-8. PMID 24568167 DOI: 10.1021/Ja500621M |
0.343 |
|
| 2014 |
Delhommelle J. Recent advances in the molecular simulation of adsorption Molecular Simulation. 40: 515. DOI: 10.1080/08927022.2013.844898 |
0.346 |
|
| 2014 |
Hicks E, Desgranges C, Delhommelle J. Adsorption and diffusion of the antiparkinsonian drug amantadine in carbon nanotubes Molecular Simulation. 40: 656-663. DOI: 10.1080/08927022.2013.841908 |
0.343 |
|
| 2014 |
Koenig ARV, Desgranges C, Delhommelle J. Adsorption of hydrogen in covalent organic frameworks using expanded Wang-Landau simulations Molecular Simulation. 40: 71-79. DOI: 10.1080/08927022.2013.841907 |
0.34 |
|
| 2012 |
Desgranges C, Delhommelle J. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. II. Adsorption of atomic and molecular fluids in a porous material. The Journal of Chemical Physics. 136: 184108. PMID 22583278 DOI: 10.1063/1.4712025 |
0.401 |
|
| 2012 |
Desgranges C, Delhommelle J. 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. The Journal of Chemical Physics. 136: 184107. PMID 22583277 DOI: 10.1063/1.4712023 |
0.479 |
|
| 2012 |
Aleksandrov T, Desgranges C, Delhommelle J. Numerical estimate for boiling points via Wang-Landau simulations Molecular Simulation. 38: 1265-1270. DOI: 10.1080/08927022.2012.702906 |
0.462 |
|
| 2012 |
Delhommelle J. New developments in molecular simulation Molecular Simulation. 38: 605-606. DOI: 10.1080/08927022.2012.696397 |
0.375 |
|
| 2012 |
Ngale KN, Desgranges C, Delhommelle J. Wang-Landau configurational bias Monte Carlo simulations: Vapour-liquid equilibria of alkenes Molecular Simulation. 38: 653-658. DOI: 10.1080/08927022.2012.694432 |
0.448 |
|
| 2012 |
Hicks JM, Desgranges C, Delhommelle J. Characterization and comparison of the performance of IRMOF-1, IRMOF-8, and IRMOF-10 for CO 2 adsorption in the subcritical and supercritical regimes Journal of Physical Chemistry C. 116: 22938-22946. DOI: 10.1021/Jp307319U |
0.327 |
|
| 2012 |
Desgranges C, Ngale KN, Delhommelle J. Prediction of critical properties for Naphthacene, Triphenylene and Chrysene by Wang-Landau simulations Fluid Phase Equilibria. 322: 92-96. DOI: 10.1016/J.Fluid.2012.03.012 |
0.324 |
|
| 2011 |
Desgranges C, Delhommelle J. Role of liquid polymorphism during the crystallization of silicon. Journal of the American Chemical Society. 133: 2872-4. PMID 21322596 DOI: 10.1021/Ja1117478 |
0.365 |
|
| 2011 |
Delhommelle J. Crystal nucleation and growth from supercooled melts Molecular Simulation. 37: 613-620. DOI: 10.1080/08927022.2011.566611 |
0.375 |
|
| 2011 |
Persson J, Desgranges C, Delhommelle J. Polymorph selection during the crystallization of iron under the conditions of Earth's inner core Chemical Physics Letters. 511: 57-61. DOI: 10.1016/J.Cplett.2011.06.018 |
0.334 |
|
| 2011 |
Hicks JM, Magness A, Desgranges C, Delhommelle J. Phase equilibria of polyaromatic hydrocarbons by hybrid Monte Carlo Wang-Landau simulations Acs National Meeting Book of Abstracts. |
0.355 |
|
| 2010 |
Delhommelle J. Recent developments in molecular simulation Molecular Simulation. 36: 497. DOI: 10.1080/08927022.2010.504409 |
0.389 |
|
| 2010 |
Desgranges C, Kastl EA, Aleksandrov T, Delhommelle J. Optimisation of multiple time-step hybrid Monte Carlo Wang-Landau simulations in the isobaric-isothermal ensemble for the determination of phase equilibria Molecular Simulation. 36: 544-551. DOI: 10.1080/08927021003762738 |
0.463 |
|
| 2010 |
Magness A, Desgranges C, Delhommelle J, Hicks J. Phase equilibria of polyaromatic hydrocarbons by hybrid Monte Carlo Wang-Landau simulations Acs National Meeting Book of Abstracts. DOI: 10.1080/00268970903544238 |
0.47 |
|
| 2010 |
Aleksandrov T, Desgranges C, Delhommelle J. Vapor-liquid equilibria of copper using hybrid Monte Carlo Wang-Landau simulations Fluid Phase Equilibria. 287: 79-83. DOI: 10.1016/J.Fluid.2009.09.009 |
0.399 |
|
| 2009 |
Ngale KN, Desgranges C, Delhommelle J. Nucleation and growth of C60 nanoparticles from the supersaturated vapor and from the undercooled liquid: a molecular simulation study. The Journal of Chemical Physics. 131: 244515. PMID 20059087 DOI: 10.1063/1.3283901 |
0.391 |
|
| 2009 |
Desgranges C, Delhommelle J. Phase equilibria of molecular fluids via hybrid Monte Carlo Wang-Landau simulations: applications to benzene and n-alkanes. The Journal of Chemical Physics. 130: 244109. PMID 19566144 DOI: 10.1063/1.3158605 |
0.469 |
|
| 2009 |
Desgranges C, Delhommelle J. Universal scaling law for energy and pressure in a shearing fluid. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 052201. PMID 19518502 DOI: 10.1103/Physreve.79.052201 |
0.364 |
|
| 2009 |
Desgranges C, Delhommelle J. Accurate determination of normal stress differences via transient-time correlation function - Non-equilibrium molecular dynamics (TTCF-NEMD) simulations Molecular Simulation. 35: 405-408. DOI: 10.1080/08927020802575598 |
0.347 |
|
| 2009 |
Desgranges C, Delhommelle J. Molecular simulation of the nucleation and growth of gold nanoparticles Journal of Physical Chemistry C. 113: 3607-3611. DOI: 10.1021/Jp8101546 |
0.367 |
|
| 2008 |
Desgranges C, Delhommelle J. Molecular simulation of transport in nanopores: application of the transient-time correlation function formalism. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 027701. PMID 18352161 DOI: 10.1103/Physreve.77.027701 |
0.424 |
|
| 2008 |
Desgranges C, Delhommelle J. Shear viscosity of liquid copper at experimentally accessible shear rates: application of the transient-time correlation function formalism. The Journal of Chemical Physics. 128: 084506. PMID 18315060 DOI: 10.1063/1.2829872 |
0.399 |
|
| 2008 |
Desgranges C, Delhommelle J. Rheology of liquid fcc metals: Equilibrium and transient-time correlation-function nonequilibrium molecular dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.184202 |
0.386 |
|
| 2008 |
Desgranges C, Delhommelle J. Crystallization mechanisms for supercooled liquid Xe at high pressure and temperature: Hybrid Monte Carlo molecular simulations Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.054201 |
0.42 |
|
| 2008 |
Delhommelle J. Recent advances in molecular simulation Molecular Simulation. 34: 117. DOI: 10.1080/08927020801961484 |
0.384 |
|
| 2008 |
Desgranges C, Delhommelle J. Estimating the conductivity of a nanoconfined liquid subjected to an experimentally accessible external field Molecular Simulation. 34: 177-181. DOI: 10.1080/08927020801930604 |
0.375 |
|
| 2007 |
Desgranges C, Delhommelle J. Molecular simulation of the crystallization of aluminum from the supercooled liquid. The Journal of Chemical Physics. 127: 144509. PMID 17935411 DOI: 10.1063/1.2784120 |
0.443 |
|
| 2007 |
Desgranges C, Delhommelle J. Polymorph selection during the crystallization of softly repulsive spheres: the inverse power law potential. The Journal of Physical Chemistry. B. 111: 12257-62. PMID 17918891 DOI: 10.1021/Jp0753023 |
0.356 |
|
| 2007 |
Desgranges C, Delhommelle J. Controlling polymorphism during the crystallization of an atomic fluid. Physical Review Letters. 98: 235502. PMID 17677916 DOI: 10.1103/Physrevlett.98.235502 |
0.371 |
|
| 2007 |
Leyssale JM, Delhommelle J, Millot C. Hit and miss of classical nucleation theory as revealed by a molecular simulation study of crystal nucleation in supercooled sulfur hexafluoride. The Journal of Chemical Physics. 127: 044504. PMID 17672704 DOI: 10.1063/1.2753147 |
0.366 |
|
| 2007 |
Desgranges C, Delhommelle J. Molecular insight into the pathway to crystallization of aluminum. Journal of the American Chemical Society. 129: 7012-3. PMID 17503827 DOI: 10.1021/Ja072260N |
0.346 |
|
| 2007 |
Desgranges C, Delhommelle J. Polymorph selection during the crystallization of Yukawa systems. The Journal of Chemical Physics. 126: 054501. PMID 17302479 DOI: 10.1063/1.2431808 |
0.325 |
|
| 2007 |
Desgranges C, Delhommelle J. Molecular simulation of cross-nucleation between polymorphs. The Journal of Physical Chemistry. B. 111: 1465-9. PMID 17243668 DOI: 10.1021/Jp067310+ |
0.329 |
|
| 2007 |
Desgranges C, Delhommelle J. Viscosity of liquid iron under high pressure and high temperature: Equilibrium and nonequilibrium molecular dynamics simulation studies Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.172102 |
0.454 |
|
| 2007 |
Delhommelle J. Guest editorial: Recent developments in molecular simulation Molecular Simulation. 33: 711-712. DOI: 10.1080/08927020701361900 |
0.39 |
|
| 2007 |
Bomont JM, Delhommelle J, Bretonnet JL. Structure and thermodynamics of the expanded liquid mercury by Monte Carlo simulation: a first attempt Journal of Non-Crystalline Solids. 353: 3454-3458. DOI: 10.1016/J.Jnoncrysol.2007.05.165 |
0.411 |
|
| 2006 |
Desgranges C, Delhommelle J. Insights into the molecular mechanism underlying polymorph selection. Journal of the American Chemical Society. 128: 15104-5. PMID 17117858 DOI: 10.1021/Ja0670310 |
0.327 |
|
| 2006 |
Desgranges C, Delhommelle J. Molecular mechanism for the cross-nucleation between polymorphs. Journal of the American Chemical Society. 128: 10368-9. PMID 16895393 DOI: 10.1021/Ja063218F |
0.344 |
|
| 2006 |
Delhommelle J. Guest editorial: Frontiers of molecular simulation Molecular Simulation. 32: 173-174. DOI: 10.1080/08927020600686845 |
0.394 |
|
| 2005 |
Delhommelle J, Cummings PT, Petravic J. Conductivity of molten sodium chloride in an arbitrarily weak dc electric field. The Journal of Chemical Physics. 123: 114505. PMID 16392571 DOI: 10.1063/1.2035085 |
0.316 |
|
| 2005 |
Delhommelle J, Petravic J. Shear thickening in a model colloidal suspension. The Journal of Chemical Physics. 123: 074707. PMID 16229610 DOI: 10.1063/1.2007667 |
0.339 |
|
| 2005 |
Leyssale JM, Delhommelle J, Millot C. Molecular simulation of the homogeneous crystal nucleation of carbon dioxide. The Journal of Chemical Physics. 122: 184518. PMID 15918740 DOI: 10.1063/1.1897696 |
0.412 |
|
| 2005 |
Leyssale JM, Delhommelle J, Millot C. Atomistic simulation of the homogeneous nucleation and of the growth of N2 crystallites. The Journal of Chemical Physics. 122: 104510. PMID 15836335 DOI: 10.1063/1.1862626 |
0.366 |
|
| 2005 |
Delhommelle J. Should "lane formation" occur systematically in driven liquids and colloids? Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 016705. PMID 15697762 DOI: 10.1103/Physreve.71.016705 |
0.394 |
|
| 2005 |
Delhommelle JP, Cummings PT. Simulation of friction in nanoconfined fluids for an arbitrarily low shear rate Aiche Annual Meeting, Conference Proceedings. 13884. DOI: 10.1103/Physrevb.72.172201 |
0.337 |
|
| 2004 |
Leyssale JM, Delhommelle J, Millot C. Reorganization and growth of metastable alpha-N2 critical nuclei into stable beta-N2 crystals. Journal of the American Chemical Society. 126: 12286-7. PMID 15453760 DOI: 10.1021/Ja046700B |
0.346 |
|
| 2004 |
Delhommelle J, Petravic J, Evans DJ. Non-Newtonian behavior in simple fluids. The Journal of Chemical Physics. 120: 6117-23. PMID 15267496 DOI: 10.1063/1.1652014 |
0.367 |
|
| 2004 |
Delhommelle J. Simulations of shear-induced melting in two dimensions Physical Review B - Condensed Matter and Materials Physics. 69. DOI: 10.1103/Physrevb.69.144117 |
0.36 |
|
| 2004 |
Petravic J, Delhommelle J. Nonequilibrium molecular dynamics simulations of molten sodium chloride International Journal of Thermophysics. 25: 1375-1393. DOI: 10.1007/S10765-004-5745-X |
0.368 |
|
| 2003 |
Delhommelle J, Petravic J, Evans DJ. Reexamination of string phase and shear thickening in simple fluids. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 031201. PMID 14524752 DOI: 10.1103/Physreve.68.031201 |
0.369 |
|
| 2003 |
Delhommelle J, Petravic J, Evans DJ. On the effects of assuming flow profiles in nonequilibrium simulations Journal of Chemical Physics. 119: 11005-11010. DOI: 10.1063/1.1623178 |
0.384 |
|
| 2003 |
Delhommelle J, Petravic J. Shear viscosity of molten sodium chloride Journal of Chemical Physics. 118: 2783-2791. DOI: 10.1063/1.1535213 |
0.373 |
|
| 2003 |
Leyssale JM, Delhommelle J, Millot C. A molecular dynamics study of homogeneous crystal nucleation in liquid nitrogen Chemical Physics Letters. 375: 612-618. DOI: 10.1016/S0009-2614(03)00925-4 |
0.39 |
|
| 2002 |
Delhommelle J. Rotational viscosity of uniaxial molecules Molecular Physics. 100: 3479-3482. DOI: 10.1080/00268970210161476 |
0.313 |
|
| 2002 |
Delhommelle J, Evans DJ. Poiseuille flow of a micropolar fluid Molecular Physics. 100: 2857-2865. DOI: 10.1080/00268970210145320 |
0.358 |
|
| 2002 |
Lue L, Jepps OG, Delhommelle J, Evans DJ. Configurational thermostats for molecular systems Molecular Physics. 100: 2387-2395. DOI: 10.1080/00268970210122145 |
0.401 |
|
| 2002 |
Delhommelle J, Evans DJ. Correspondence between configurational temperature and molecular kinetic temperature thermostats Journal of Chemical Physics. 117: 6016-6021. DOI: 10.1063/1.1503771 |
0.369 |
|
| 2001 |
Delhommelle J, Evans DJ. Configurational temperature thermostat for fluids undergoing shear flow: Application to liquid chlorine Molecular Physics. 99: 1825-1829. DOI: 10.1080/00268970110075158 |
0.429 |
|
| 2001 |
Delhommelle J, Millié P. Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation Molecular Physics. 99: 619-625. DOI: 10.1080/00268970010020041 |
0.407 |
|
| 2001 |
Delhommelle J, Evans DJ. Comparison of thermostatting mechanisms in NVT and NPT simulations of decane under shear Journal of Chemical Physics. 115: 43-49. DOI: 10.1063/1.1376628 |
0.431 |
|
| 2001 |
Delhommelle J, Evans DJ. Configurational temperature profile in confined fluids. II. Molecular fluids Journal of Chemical Physics. 114: 6236-6241. DOI: 10.1063/1.1356000 |
0.325 |
|
| 2001 |
Delhommelle J, Evans DJ. Configurational temperature profile in confined fluids. I. Atomic fluid Journal of Chemical Physics. 114: 6229-6235. DOI: 10.1063/1.1355999 |
0.371 |
|
| 2000 |
Delhommelle J, Millié P, Fuchs AH. On the role of the definition of potential models in Gibbs ensemble phase equilibria simulations of the H2S-pentane mixture Molecular Physics. 98: 1895-1905. DOI: 10.1080/00268970050194711 |
0.624 |
|
| 2000 |
Ungerer P, Beauvais C, Delhommelle J, Boutin A, Rousseau B, Fuchs AH. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes Journal of Chemical Physics. 112: 5499-5510. DOI: 10.1063/1.481116 |
0.751 |
|
| 2000 |
Delhommelle J, Tschirwitz C, Ungerer P, Granucci G, Millié P, Pattou D, Fuchs AH. Derivation of an Optimized Potential Model for Phase Equilibria (OPPE) for Sulfides and Thiols Journal of Physical Chemistry B. 104: 4745-4753. DOI: 10.1021/Jp994064B |
0.718 |
|
| 1999 |
Delhommelle J, Boutin A, Fuchs AH. Molecular simulation of vapour-liquid coexistence curves for hydrogen sulfide-alkane and carbon dioxide-alkane mixtures Molecular Simulation. 22: 351-368. DOI: 10.1080/08927029908022105 |
0.743 |
|
| 1999 |
Delhommelle J, Boutin A, Tavitian B, Mackie AD, Fuchs AH. Vapour-liquid coexistence curves of the united-atom and anisotropic united-atom force fields for alkane mixtures Molecular Physics. 96: 1517-1524. DOI: 10.1080/00268979909483094 |
0.696 |
|
| 1999 |
Delhommelle J, Granucci G, Brenner V, Millié P, Boutin A, Fuchs AH. A new method for deriving atomic charges and dipoles for n-alkanes: Investigation of transferability and geometry dependence Molecular Physics. 97: 1117-1128. DOI: 10.1080/00268979909482912 |
0.688 |
|
| 1999 |
Neubauer B, Delhommelle J, Boutin A, Tavitian B, Fuchs AH. Monte Carlo simulations of squalane in the Gibbs ensemble Fluid Phase Equilibria. 155: 167-176. DOI: 10.1016/S0378-3812(98)00465-8 |
0.725 |
|
| Show low-probability matches. |