Emeric Bourasseau

Emeric Bourasseau

CEA (Commissariat à l'Energie Atomique et aux Energies Alternatives) - Gif-sur-Yvette / France
Others
AD Scientific Index ID: 4404532
The French Alternative Energies and Atomic Energy Commission
person_outline Emeric Bourasseau's MOST POPULAR ARTICLES
1-) New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium propertiesE Bourasseau, M Haboudou, A Boutin, AH Fuchs, P UngererThe Journal of chemical physics 118 (7), 3020-3034, 20031682003
2-) Prediction of equilibrium properties of cyclic alkanes by Monte Carlo simulation new anisotropic united atoms intermolecular potential new transfer bias methodE Bourasseau, P Ungerer, A BoutinThe Journal of Physical Chemistry B 106 (21), 5483-5491, 20021012002
3-) Monte Carlo simulation of branched alkanes and long chain n-alkanes with anisotropic united atoms intermolecular potentialE Bourasseau, P Ungerer, A Boutin, AH Fuchsmolecular simulation 28 (4), 317-336, 2002852002
4-) Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methodsG Clavier, N Desbiens, E Bourasseau, V Lachet, N Brusselle-Dupend, ...Molecular Simulation 43 (17), 1413-1422, 2017772017
5-) Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols: Application to the problems of the 2004 Fluid Simulation ChallengeY Boutard, P Ungerer, JM Teuler, MG Ahunbay, SF Sabater, ...Fluid phase equilibria 236 (1-2), 25-41, 2005712005