| New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties E Bourasseau, M Haboudou, A Boutin, AH Fuchs, P Ungerer The Journal of chemical physics 118 (7), 3020-3034, 2003 | 174 | 2003 |
| Prediction of equilibrium properties of cyclic alkanes by Monte Carlo simulation new anisotropic united atoms intermolecular potential new transfer bias method E Bourasseau, P Ungerer, A Boutin The Journal of Physical Chemistry B 106 (21), 5483-5491, 2002 | 105 | 2002 |
| Monte Carlo simulation of branched alkanes and long chain n-alkanes with anisotropic united atoms intermolecular potential E Bourasseau, P Ungerer, A Boutin, AH Fuchs molecular simulation 28 (4), 317-336, 2002 | 86 | 2002 |
| Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols: Application to the problems of the 2004 Fluid Simulation Challenge Y Boutard, P Ungerer, JM Teuler, MG Ahunbay, SF Sabater, ... Fluid phase equilibria 236 (1-2), 25-41, 2005 | 70 | 2005 |
| Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods G Clavier, N Desbiens, E Bourasseau, V Lachet, N Brusselle-Dupend, ... Molecular Simulation 43 (17), 1413-1422, 2017 | 61 | 2017 |
| Phase diagrams and isotopic effects of normal and deuterated water studied via x-ray diffraction up to 4.5 GPa and 500 K G Weck, J Eggert, P Loubeyre, N Desbiens, E Bourasseau, JB Maillet, ... Physical Review B—Condensed Matter and Materials Physics 80 (18), 180202, 2009 | 57 | 2009 |
| Application of Gibbs ensemble and NPT Monte Carlo simulation to the development of improved processes for H2S-rich gases P Ungerer, A Wender, G Demoulin, É Bourasseau, P Mougin Molecular Simulation 30 (10), 631-648, 2004 | 51 | 2004 |
| Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive JB Maillet, E Bourasseau, N Desbiens, G Vallverdu, G Stoltz Europhysics Letters 96 (6), 68007, 2011 | 47 | 2011 |
| Microscopic approaches to liquid nitromethane detonation properties A Hervouët, N Desbiens, E Bourasseau, JB Maillet The Journal of Physical Chemistry B 112 (16), 5070-5078, 2008 | 47 | 2008 |
| Molecular simulations of Hugoniots of detonation product mixtures at chemical equilibrium: Microscopic calculation of the Chapman-Jouguet state E Bourasseau, V Dubois, N Desbiens, JB Maillet The Journal of chemical physics 127 (8), 2007 | 45 | 2007 |
| Equilibrium and transport properties of CO2+ N2O and CO2+ NO mixtures: Molecular simulation and equation of state modelling study V Lachet, B Creton, T De Bruin, E Bourasseau, N Desbiens, ... Fluid phase equilibria 322, 66-78, 2012 | 39 | 2012 |
| Anisotropic united-atoms (AUA) potential for alcohols J Pérez-Pellitero, E Bourasseau, I Demachy, J Ridard, P Ungerer, ... The Journal of Physical Chemistry B 112 (32), 9853-9863, 2008 | 35 | 2008 |
| Calculation of a solid/liquid surface tension: A methodological study T Dreher, C Lemarchand, L Soulard, E Bourasseau, P Malfreyt, N Pineau The Journal of Chemical Physics 148 (3), 2018 | 32 | 2018 |
| Surface tension of spherical drops from surface of tension AA Homman, E Bourasseau, G Stoltz, P Malfreyt, L Strafella, A Ghoufi The Journal of chemical physics 140 (3), 2014 | 32 | 2014 |
| Calculation of the surface tension of liquid copper from atomistic Monte Carlo simulations E Bourasseau, AA Homman, O Durand, A Ghoufi, P Malfreyt The european physical journal B 86, 1-8, 2013 | 32 | 2013 |
| Thermodynamic Behavior of the CO2 + NO2/N2O4 Mixture: A Monte Carlo Simulation Study E Bourasseau, V Lachet, N Desbiens, JB Maillet, JM Teuler, P Ungerer The Journal of Physical Chemistry B 112 (49), 15783-15792, 2008 | 32 | 2008 |
| Calculation of the interfacial tension of the graphene-water interaction by molecular simulations T Dreher, C Lemarchand, N Pineau, E Bourasseau, A Ghoufi, P Malfreyt The Journal of chemical physics 150 (1), 2019 | 29 | 2019 |
| Study of thermodynamic properties of U1-yPuyO2 MOX fuel using classical molecular Monte Carlo simulations C Takoukam-Takoundjou, E Bourasseau, V Lachet Journal of Nuclear Materials 534, 152125, 2020 | 28 | 2020 |
| A new heat capacity law for UO2, PuO2 and (U, Pu) O2 derived from molecular dynamics simulations and useable in fuel performance codes D Bathellier, M Lainet, M Freyss, P Olsson, E Bourasseau Journal of Nuclear Materials 549, 152877, 2021 | 24 | 2021 |
| Experimental and simulation study of grain boundaries in UO2 E Bourasseau, A Mouret, P Fantou, X Iltis, RC Belin Journal of Nuclear Materials 517, 286-295, 2019 | 24 | 2019 |
Ghoufi azizuniversite rennes在 univ-rennes1.fr 的电子邮件经过验证
