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Jean-Paul RYCKAERT

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coordonnées

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unités de recherche

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publications

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Destrée M., Lyulin A., Ryckaert J.-P. / Monte Carlo prediction of the structure factor of polyetylene in good and theta-solvents / Macromolecules, 29, 1721-1727.
Depaepe J.-M., Ryckaert J.-P. / Isomerisation of 1-2 dichloroethane in polar and non-polar solvents / Chem. Phys. Lett., 245,653.
Pierleoni C., Ryckaert J.-P. / Deformation and orientation of flexible polymers under shear flow: a new picture for intermediate shear rate / Macromolecules, 28, 5087.
Ryckaert J.-P., Klein M. L., Mc Donald I. R. / Computer Simulation and the interpretation of incoherent neutron scattering experiments on the solid rotator phases of long chain alkanes / Mol. Phys., 83, 439.
Ryckaert J.-P. / On the simulation of plastic cristals of n alkanes with a n atomistic model / Physica A, 213,50-60.
Pierleoni C., Ryckaert J.-P. / Scaling analysis for a chain molecule in solution subject to shear flow by computer simulation / Phys. Rev. Lett., 71, 1724.
Dupont G., Moulinasse S., Ryckaert J.-P., Baus M. / The bcc-fcc-fluid triple point as obtained from MC simulations of the Yukawa model for monodisperse colloidal suspensions / Mol. Phys., 79, 43.
Ciccotti G., Depaepe J.-M., Paci E., Ryckaert J.-P. / On molecular dynamics techniques sampling the distribution of molecular conformations / Mol. Phys., 79, 515.
Depaepe J.-M., Ryckaert J.-P., Bellemans A. / Kinetics of the geometric isomerisation of cyclohexene in a stochastic bath / Mol. Phys., 78, 1575.
Hounkonnou M. N., Pierleoni C., Ryckaert J.-P. / Molecular dynamics investigation of dynamic scaling for dilute solutions of polymers in good solvent / J. Chem. Phys., 96, 8539.
Pierleoni C., Ryckaert J.-P. / On the use of the Nose-Hoover Thermostat in the simulation of dynamic properties of a single chain molecule in solvent / Mol. Phys., 75, 731.
Pierleoni C., Ryckaert J.-P. / Relaxation of a single chain molecule in good solvent conditions by molecular dynamics simulation / Phys. Rev. Lett., 66, 2992.
Ferrario M., Ciccotti G., Holian B. L., Ryckaert J.-P. / Shear rate dependence of the viscosity of Argon at triple point / Phys. Rev. A, 44, 6936.
Pierleoni C., Ryckaert J.-P. / Non-newtonian viscosity of atomic fluids in shear and shear free flows / Phys. Rev. A, 44, 5314.
Hammonds K., Ryckaert J.-P. / On the convergence of the SHAKE algorithm / Comp. Phys. Comm., 62, 336.
Xu H., Ryckaert J.-P. / On the coupling between the intrinsic angular momentum of molecules and the fluid vorticity / J. Chem. Phys., 93, 5234.
Pierleoni C., Arialdi G., Ryckaert J.-P. / On the signature of tensile blobs in the scattering function of a stretched polymer / Phys. Rev. Lett., 79(16), 2990.
Mac Dowell L. G., Guillaume F., Ryckaert J.-P., Girard P., Rodriguez V., Dianoux A.-J. / Rotational molecular dynamics in the R-I phase of n-nonadecane / Physica B, 234, 106.
C. Pierleoni, G. Arialdi, and J.-P. Ryckaert / On the signature of tensile blobs in the scattering function of a stretched polymer / Phys. Rev. Lett. 79, 2990.
F. El Azhar, M. Baus, J.-P. Ryckaert, and E. J. Meijer / Line of triple points for the hard-core Yukawa model: A computer simulation study / J. Chem. Phys. 112, 5121.
J. T. Titantah, C. Pierleoni, and J.-P. Ryckaert / Different statistical mechanical ensembles for a stretched polymer / Phys. Rev. E 60, 7010.
M. Destrée, F. Lauprêtre, A. Lyulin, and J.-P. Ryckaert / Local dynamics of isotactic and syndiotactic polypropylene in solution / J. Chem. Phys. 112, 9632.
M. Destrée, A. Lyulin, and J.-P. Ryckaert / Monte Carlo prediction of the structure factor of polyethylene in good and theta-solvents / Macromolecules 29, 1721.
L. G. MacDowell, F. Guillaume, J.-P. Ryckaert, P. Girard, V. Rodriguez, and A.-J. Dianoux / Rotational molecular dynamics in the RI phase of n-nonadecane / Physica B 234, 106.
C. Pierleoni and J.-P. Ryckaert / Excluded volume effects on the structure of a linear polymer under shear flow / J. Chem. Phys. 113, 5545.
J.-P. Ryckaert, G. Arialdi, and S. Melchionna / Molecular dynamics of polymers with explicit but frozen hydrogens / Mol. Phys. 99, 155.
K. Karatasos, F. Saija, and J.-P. Ryckaert / Short length-scale dynamics of polyisobutylene by molecular dynamics simulations / Physica B 301, 119.
D. F. Coker, H. S. Mei, and J.-P. Ryckaert / Thermal average time correlation functions from non adiabatic MD: Application to rate constants for condensed phase non adiabatic reactions / In B. J. Berne, G. Ciccotti, and D. F. Coker, editors, "Classical and Quantum Dynamics in Condensed Phase Simulations", World Scientific Publishing, Singapore.
F. Guillaume, J.-P. Ryckaert, V. Rodriguez, L. G. MacDowell, P. Girard, and A.-J. Dianoux / Molecular dynamics in solid n-nonadecane: Experiments and computer simulations / Phase Transit., submitted.
K. Karatasos and J.-P. Ryckaert / Local dynamics of polyisobutylene revisited / Macromolecules 34, 7232.
K. Karatasos, J.-P. Ryckaert, R. Ricciardi, and F. Lauprêtre / Methyl dynamics and beta-relaxation in polyisobutylene: Comparison between experiment and molecular dynamics simulations / Macromolecules, to appear.

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