Jean-Marc Simon
Jean-Marc Simon
Associate Professor in physical chemistry, Université de Bourgogne
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Cited by
Cited by
Kirkwood–Buff integrals for finite volumes
P Krüger, SK Schnell, D Bedeaux, S Kjelstrup, TJH Vlugt, JM Simon
The Journal of Physical Chemistry Letters 4 (2), 235-238, 2013
Calculating thermodynamic properties from fluctuations at small scales
SK Schnell, X Liu, JM Simon, A Bardow, D Bedeaux, TJH Vlugt, ...
The Journal of Physical Chemistry B 115 (37), 10911-10918, 2011
Diffusion coefficients from molecular dynamics simulations in binary and ternary mixtures
X Liu, SK Schnell, JM Simon, P Krüger, D Bedeaux, S Kjelstrup, A Bardow, ...
International journal of thermophysics 34, 1169-1196, 2013
Fick diffusion coefficients in ternary liquid systems from equilibrium molecular dynamics simulations
X Liu, A Martín-Calvo, E McGarrity, SK Schnell, S Calero, JM Simon, ...
Industrial & engineering chemistry research 51 (30), 10247-10258, 2012
Thermodynamics of a small system in a μT reservoir
SK Schnell, TJH Vlugt, JM Simon, D Bedeaux, S Kjelstrup
Chemical Physics Letters 504 (4-6), 199-201, 2011
Fick diffusion coefficients of liquid mixtures directly obtained from equilibrium molecular dynamics
X Liu, SK Schnell, JM Simon, D Bedeaux, S Kjelstrup, A Bardow, ...
The Journal of Physical Chemistry B 115 (44), 12921-12929, 2011
Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects
SK Schnell, TJH Vlugt, JM Simon, D Bedeaux, S Kjelstrup
Molecular Physics 110 (11-12), 1069-1079, 2012
Monte Carlo versus molecular dynamics simulations in heterogeneous systems: An application to the n-pentane liquid-vapor interface
F Goujon, P Malfreyt, JM Simon, A Boutin, B Rousseau, AH Fuchs
The Journal of chemical physics 121 (24), 12559-12571, 2004
Thermal Flux through a Surface of n-Octane. A Non-equilibrium Molecular Dynamics Study
JM Simon, S Kjelstrup, D Bedeaux, B Hafskjold
The Journal of Physical Chemistry B 108 (22), 7186-7195, 2004
Finite-size effects of Kirkwood–Buff integrals from molecular simulations
N Dawass, P Krüger, SK Schnell, D Bedeaux, S Kjelstrup, JM Simon, ...
Molecular Simulation 44 (7), 599-612, 2018
Kirkwood-Buff integrals from molecular simulation
N Dawass, P Krüger, SK Schnell, JM Simon, TJH Vlugt
Fluid Phase Equilibria 486, 21-36, 2019
Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential
J Ge, S Kjelstrup, D Bedeaux, JM Simon, B Rousseau
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 75 (6 …, 2007
How to apply the Kirkwood–Buff theory to individual species in salt solutions
SK Schnell, P Englebienne, JM Simon, P Krüger, SP Balaji, S Kjelstrup, ...
Chemical Physics Letters 582, 154-157, 2013
Characterization of adsorbed water in MIL-53 (Al) by FTIR spectroscopy and ab-initio calculations
JM Salazar, G Weber, JM Simon, I Bezverkhyy, JP Bellat
The Journal of Chemical Physics 142 (12), 2015
Criteria for validity of thermodynamic equations from non-equilibrium molecular dynamics simulations
S Kjelstrup, D Bedeaux, I Inzoli, JM Simon
Energy 33 (8), 1185-1196, 2008
Thermal diffusion in alkane binary mixtures: A molecular dynamics approach
JM Simon, DK Dysthe, AH Fuchs, B Rousseau
Fluid Phase Equilibria 150, 151-159, 1998
Interface film resistivities for heat and mass transfers integral relations verified by non-equilibrium molecular dynamics
JM Simon, D Bedeaux, S Kjelstrup, J Xu, E Johannessen
The Journal of Physical Chemistry B 110 (37), 18528-18536, 2006
Adsorption of hydrogen isotopes in the zeolite NaX: Experiments and simulations
JM Salazar, S Lectez, C Gauvin, M Macaud, JP Bellat, G Weber, ...
International Journal of Hydrogen Energy 42 (18), 13099-13110, 2017
Diffusion of oxygen in cork
S Lequin, D Chassagne, T Karbowiak, JM Simon, C Paulin, JP Bellat
Journal of agricultural and food chemistry 60 (13), 3348-3356, 2012
Size and shape effects on the thermodynamic properties of nanoscale volumes of water
BA Strřm, JM Simon, SK Schnell, S Kjelstrup, J He, D Bedeaux
Physical Chemistry Chemical Physics 19 (13), 9016-9027, 2017
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