Prediction of the boiling and critical points of polycyclic aromatic hydrocarbons via Wang-Landau simulations and machine learning von Groven, Steven D., Desgranges, C., Delhommelle, J.

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Classical and quantum many-body effects on the critical properties and thermodynamic regularities of silicon von Desgranges, C, Anderson, P W, Delhommelle, J

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A new force field for H2S and its binary and ternary mixtures with CO2 and CH4 von Owen, A.N., Desgranges, C., Delhommelle, J.

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Vapor–liquid equilibria of copper using hybrid Monte Carlo Wang—Landau simulations von Aleksandrov, T., Desgranges, C., Delhommelle, J.

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Prediction of critical properties for Naphthacene, Triphenylene and Chrysene by Wang–Landau simulations von Desgranges, C., Ngale, K. Ndumbe, Delhommelle, J.

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Crystal nucleation and growth in Pd-Ni alloys: a molecular simulation study von Watson, Kyle D, Nguelo, S. E. Tatsinkou, Desgranges, C, Delhommelle, J

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Onset of shear thickening in a simple fluid von DELHOMMELLE, J

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Comparison of thermostatting mechanisms in NVT and NPT simulations of decane under shear von Delhommelle, Jerome, Evans, Denis J.

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Configurational temperature profile in confined fluids. I. Atomic fluid von Delhommelle, Jerome, Evans, Denis J.

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A molecular dynamics study of homogeneous crystal nucleation in liquid nitrogen von Leyssale, J.-M., Delhommelle, J., Millot, C.

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Configurational temperature profile in confined fluids. II. Molecular fluids von Delhommelle, Jerome, Evans, Denis J.

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Derivation of an Optimized Potential Model for Phase Equilibria (OPPE) for Sulfides and Thiols von Delhommelle, J, Tschirwitz, C, Ungerer, P, Granucci, G, Millié, P, Pattou, D, Fuchs, A. H

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Nonequilibrium Molecular Dynamics Simulations of Molten Sodium Chloride von Petravic, J., Delhommelle, J.

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Optimization of the anisotropic united atoms intermolecular potential for n -alkanes von Ungerer, Philippe, Beauvais, Christèle, Delhommelle, Jérôme, Boutin, Anne, Rousseau, Bernard, Fuchs, Alain H.

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On the role of the definition of potential models in Gibbs ensemble phase equilibria simulations of the H2S-pentane mixture von DELHOMMELLE, JÉRÔME, MILLIÉ, PHILIPPE, FUCHS, ALAIN H.

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Hydrogen bonding in ethanol under shear von Petravic, Janka, Delhommelle, Jerome

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Shear thickening in a model colloidal suspension von Delhommelle, Jerome, Petravic, J.

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Vapour-liquid coexistence curves of the united-atom and anisotropic united-atom force fields for alkane mixtures von DELHOMMELLE, JÉRÔME, BOUTIN, ANNE, TAVITIAN, BERNARD, MACKIE, ALLAN D., FUCHS, ALAIN H.

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Molecular simulation of the homogeneous crystal nucleation of carbon dioxide von Leyssale, Jean-Marc, Delhommelle, Jérôme, Millot, Claude

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Conductivity of molten sodium chloride and its supercritical vapor in strong dc electric fields von Petravic, Janka, Delhommelle, Jérôme

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