Emeric Bourasseau
Emeric Bourasseau
Verified email at cea.fr
Title
Cited by
Cited by
Year
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
1622003
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
992002
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
842002
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
602005
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
462004
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 80 (18), 180202, 2009
442009
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
422008
Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive
JB Maillet, E Bourasseau, N Desbiens, G Vallverdu, G Stoltz
EPL (Europhysics Letters) 96 (6), 68007, 2011
372011
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), 084513, 2007
362007
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
302008
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
292012
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), 034110, 2014
252014
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 (6), 1-8, 2013
252013
Microscopic calculations of Hugoniot curves of neat triaminotrinitrobenzene (TATB) and of its detonation products
E Bourasseau, JB Maillet, N Desbiens, G Stoltz
The Journal of Physical Chemistry A 115 (39), 10729-10737, 2011
212011
Molecular dynamics simulations of nanocarbons at high pressure and temperature
G Chevrot, E Bourasseau, N Pineau, JB Maillet
Carbon 47 (15), 3392-3402, 2009
202009
Molecular based equation of state for shocked liquid nitromethane
N Desbiens, E Bourasseau, JB Maillet, L Soulard
Journal of hazardous materials 166 (2-3), 1120-1126, 2009
202009
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
202008
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
192017
Ab initio simulations of thermodynamic and chemical properties of detonation product mixtures
JB Maillet, E Bourasseau
The Journal of chemical physics 131 (8), 084107, 2009
192009
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), 034702, 2018
142018
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