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Emeric Bourasseau, Ph.D. - Publications

Affiliations: 
1999-2003 Université Paris-Sud 11, Orsay, Bures-sur-Yvette, Île-de-France, France 
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Karcz MJ, Messina L, Kawasaki E, Rajaonson S, Bathellier D, Nastar M, Schuler T, Bourasseau E. Semi-supervised generative approach to chemical disorder: application to point-defect formation in uranium-plutonium mixed oxides. Physical Chemistry Chemical Physics : Pccp. PMID 37605928 DOI: 10.1039/d3cp02790b  0.594
2020 Takoukam-Takoundjou C, Bourasseau E, Rushton MJD, Lachet V. Optimization of a new interatomic potential to investigate the thermodynamic properties of hypo-stoichiometric mixed oxide fuel U Pu O. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 32: 505702. PMID 32990265 DOI: 10.1088/1361-648X/Abace3  0.436
2020 Takoukam-Takoundjou C, Bourasseau E, Lachet V. Study of thermodynamic properties of U1-yPuyO2 MOX fuel using classical molecular Monte Carlo simulations Journal of Nuclear Materials. 534: 152125. DOI: 10.1016/J.Jnucmat.2020.152125  0.498
2019 Dreher T, Lemarchand C, Pineau N, Bourasseau E, Ghoufi A, Malfreyt P. Calculation of the interfacial tension of the graphene-water interaction by molecular simulations. The Journal of Chemical Physics. 150: 014703. PMID 30621407 DOI: 10.1063/1.5048576  0.592
2018 Dreher T, Lemarchand C, Soulard L, Bourasseau E, Malfreyt P, Pineau N. Calculation of a solid/liquid surface tension: A methodological study. Journal of Chemical Physics. 148: 34702-34702. PMID 29352784 DOI: 10.1063/1.5008473  0.465
2017 Clavier G, Desbiens N, Bourasseau E, Lachet V, Brusselle-Dupend N, Rousseau B. Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods Molecular Simulation. 43: 1413-1422. DOI: 10.1080/08927022.2017.1313418  0.416
2016 Durand O, Soulard L, Bourasseau E, Filippini G. Investigation of the static and dynamic fragmentation of metallic liquid sheets induced by random surface fluctuations Journal of Applied Physics. 120: 45306. DOI: 10.1063/1.4959607  0.327
2016 Bourasseau E, Pineau N, Maillet JB, Dubois V. Calculation of the shock temperature of moderately porous graphites Carbon. 103: 464-472. DOI: 10.1016/J.Carbon.2016.03.048  0.343
2015 Bourasseau E, Malfreyt P, Ghoufi A. Surface tension and long range corrections of cylindrical interfaces. Journal of Chemical Physics. 143: 234708. PMID 26696071 DOI: 10.1063/1.4937924  0.332
2014 Filippini G, Bourasseau E, Ghoufi A, Goujon F, Malfreyt P. Communication: Slab thickness dependence of the surface tension: toward a criterion of liquid sheets stability. Journal of Chemical Physics. 141: 81103. PMID 25172997 DOI: 10.1063/1.4894399  0.316
2014 Bourasseau E, Filippini G, Ghoufi A, Malfreyt P. Calculation of the surface tension of pure tin from atomistic simulations of liquid–vapour systems Molecular Physics. 112: 2654-2657. DOI: 10.1080/00268976.2014.901661  0.395
2013 Bourasseau E, Homman A, Durand O, Ghoufi A, Malfreyt P. Calculation of the surface tension of liquid copper from atomistic Monte Carlo simulations European Physical Journal B. 86: 251. DOI: 10.1140/Epjb/E2013-40226-9  0.391
2012 Lachet V, Creton B, Bruin TD, Bourasseau E, Desbiens N, Wilhelmsen O, Hammer M. Equilibrium and transport properties of CO2 + N2O and CO2 + NO mixtures: Molecular simulation and equation of state modelling study Fluid Phase Equilibria. 322: 66-78. DOI: 10.1016/J.Fluid.2012.03.011  0.419
2011 Bourasseau E, Maillet JB, Desbiens N, Stoltz G. Microscopic calculations of Hugoniot curves of neat triaminotrinitrobenzene (TATB) and of its detonation products. The Journal of Physical Chemistry. A. 115: 10729-37. PMID 21866905 DOI: 10.1021/Jp2047739  0.389
2011 Bourasseau E, Maillet JB. Coupling microscopic and mesoscopic scales to simulate chemical equilibrium between a nanometric carbon cluster and detonation products fluid. Physical Chemistry Chemical Physics : Pccp. 13: 7060-70. PMID 21394373 DOI: 10.1039/C0Cp02622K  0.403
2011 Maillet J, Bourasseau E, Desbiens N, Vallverdu G, Stoltz G. Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive Epl. 96: 68007. DOI: 10.1209/0295-5075/96/68007  0.321
2011 Maillet J, Bourasseau E, Jomard G. DFT simulations of CO2–HF mixture at extreme conditions: Thermodynamic and chemical properties Chemical Physics Letters. 507: 84-88. DOI: 10.1016/J.Cplett.2011.03.058  0.458
2009 Maillet JB, Bourasseau E, Soulard L, Clérouin J, Stoltz G. Constant entropy sampling and release waves of shock compressions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 80: 021135. PMID 19792105 DOI: 10.1103/Physreve.80.021135  0.3
2009 Maillet JB, Bourasseau E. Ab initio simulations of thermodynamic and chemical properties of detonation product mixtures. The Journal of Chemical Physics. 131: 084107. PMID 19725608 DOI: 10.1063/1.3179671  0.42
2009 Desbiens N, Bourasseau E, Maillet JB, Soulard L. Molecular based equation of state for shocked liquid nitromethane. Journal of Hazardous Materials. 166: 1120-6. PMID 19217711 DOI: 10.1016/J.Jhazmat.2008.12.083  0.354
2009 Chevrot G, Bourasseau E, Pineau N, Maillet J-. Molecular dynamics simulations of nanocarbons at high pressure and temperature Carbon. 47: 3392-3402. DOI: 10.1016/J.Carbon.2009.06.061  0.353
2008 Bourasseau E, Lachet V, Desbiens N, Maillet JB, Teuler JM, Ungerer P. Thermodynamic behavior of the CO2 + NO2/N2O4 mixture: a Monte Carlo simulation study. The Journal of Physical Chemistry. B. 112: 15783-92. PMID 19367990 DOI: 10.1021/Jp8068255  0.684
2008 Pérez-Pellitero J, Bourasseau E, Demachy I, Ridard J, Ungerer P, Mackie AD. Anisotropic united-atoms (AUA) potential for alcohols. The Journal of Physical Chemistry. B. 112: 9853-63. PMID 18646801 DOI: 10.1021/Jp802282P  0.671
2008 Hervouët A, Desbiens N, Bourasseau E, Maillet JB. Microscopic approaches to liquid nitromethane detonation properties. The Journal of Physical Chemistry. B. 112: 5070-8. PMID 18376884 DOI: 10.1021/Jp077250N  0.461
2008 Sollier A, Auroux E, Vauthier J‐, Boustie M, He H, Rességuier Td, Berterretche P, Desbiens N, Bourasseau E, Maillet J‐. a New Experimental Design for Laser-Driven Shocks on Precompressed and Preheated Water Samples Bulletin of the American Physical Society. 955: 1192-1195. DOI: 10.1063/1.2832933  0.34
2007 Bourasseau E, Dubois V, Desbiens N, Maillet JB. Molecular simulations of Hugoniots of detonation product mixtures at chemical equilibrium: microscopic calculation of the Chapman-Jouguet state. The Journal of Chemical Physics. 127: 084513. PMID 17764275 DOI: 10.1063/1.2766939  0.444
2007 Desbiens N, Bourasseau E, Maillet J. Potential optimization for the calculation of shocked liquid nitromethane properties Molecular Simulation. 33: 1061-1070. DOI: 10.1080/08927020701589245  0.426
2007 Dubois V, Bourasseau E, Maillet JB. New potential model for molecular dynamic simulation of liquid HF. II - Parameter optimization for repulsion-dispersion potential Molecular Physics. 105: 125-135. DOI: 10.1080/00268970601148258  0.397
2005 Maillet J, Bourasseau E, Recoules V. Ab initio molecular dynamic study of liquid hydrogen fluorine under pressure Physical Review B. 72: 224103. DOI: 10.1103/Physrevb.72.224103  0.349
2005 Boutard Y, Ungerer P, Teuler JM, Ahunbay MG, Sabater SF, Pérez-Pellitero J, Mackie AD, Bourasseau E. Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols: Application to the problems of the 2004 Fluid Simulation Challenge Fluid Phase Equilibria. 236: 25-41. DOI: 10.1016/J.Fluid.2005.06.009  0.474
2004 Ungerer P, Wender A, Demoulin G, Bourasseau É, Mougin P. Application of Gibbs Ensemble and NPT Monte Carlo Simulation to the Development of Improved Processes for H2S-rich Gases Molecular Simulation. 30: 631-648. DOI: 10.1080/08927020410001709299  0.683
2004 BOURASSEAU E, SAWAYA T, MOKBEL I, JOSE J, UNGERER P. Measurement and prediction of vapour pressures of 2,6,10,14-tetramethylpentadecane (pristane)Experimental and Monte Carlo simulation results Fluid Phase Equilibria. 225: 49-57. DOI: 10.1016/S0378-3812(04)00329-2  0.685
2004 Bourasseau E, Sawaya T, Mokbel I, Jose J, Ungerer P. Measurement and prediction of vapour pressures of 2,6,10,14-tetramethylpentadecane (pristane) Fluid Phase Equilibria. 225: 49-57. DOI: 10.1016/J.Fluid.2004.06.064  0.598
2003 Bourasseau E, Haboudou M, Boutin A, Fuchs AH, Ungerer P. New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties The Journal of Chemical Physics. 118: 3020-3034. DOI: 10.1063/1.1537245  0.717
2002 Bourasseau E, Ungerer P, Boutin A, Fuchs AH. Monte Carlo simulation of branched alkanes and long chain n -alkanes with anisotropic united atoms intermolecular potential Molecular Simulation. 28: 317-336. DOI: 10.1080/08927020290018723  0.708
2002 Bourasseau E, Ungerer P, Boutin A. Prediction of Equilibrium Properties of Cyclic Alkanes by Monte Carlo SimulationNew Anisotropic United Atoms Intermolecular PotentialNew Transfer Bias Method The Journal of Physical Chemistry B. 106: 5483-5491. DOI: 10.1021/Jp014190R  0.677
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