The scientist’s investigation covers issues in Molecular dynamics, Chemical physics, Computational chemistry, Valence bond theory and Molecule. His studies deal with areas such as Ab initio quantum chemistry methods, Dipole, Molecular physics, Hydrogen bond and Density functional theory as well as Molecular dynamics. He interconnects Van der Waals surface and Thermodynamics in the investigation of issues within Density functional theory.
Rodolphe Vuilleumier has researched Chemical physics in several fields, including Partial charge, Orders of magnitude, Structure factor and Scalar. The various areas that Rodolphe Vuilleumier examines in his Computational chemistry study include Solvation, Ab initio, Redox, Solvent effects and Aqueous solution. His work carried out in the field of Valence bond theory brings together such families of science as Chemical bond and Atomic physics.
Rodolphe Vuilleumier mainly investigates Molecular dynamics, Chemical physics, Molecule, Density functional theory and Atomic physics. His Molecular dynamics study integrates concerns from other disciplines, such as Ion, Molecular physics, Statistical physics and Thermodynamics. His work in Chemical physics covers topics such as Dipole which are related to areas like Ionic bonding.
Rodolphe Vuilleumier studies Molecule, namely Hydrogen bond. Molecular Density and Inorganic chemistry is closely connected to Solvation in his research, which is encompassed under the umbrella topic of Density functional theory. Rodolphe Vuilleumier combines subjects such as Fragmentation, Ionization and Atomic orbital, Valence bond theory with his study of Atomic physics.
His primary areas of study are Molecular dynamics, Molecule, Chemical physics, Statistical physics and Solvation. His biological study spans a wide range of topics, including Thermodynamics, Molecular physics, Electrode, Electrical resistivity and conductivity and Mantle. His research integrates issues of Vibrational circular dichroism, Ab initio, Anharmonicity, Density functional theory and Ansatz in his study of Molecular physics.
His work deals with themes such as Ion, Ionization and Electron motion, which intersect with Molecule. His Chemical physics research includes themes of Adsorption, Dissociation, Aqueous solution, Proton and Graphene. His Solvation research incorporates themes from Inorganic chemistry, Dipole, Potential energy and Cluster.
Rodolphe Vuilleumier spends much of his time researching Molecule, Molecular dynamics, Chemical physics, Electron motion and Quantum mechanics. His Molecule study combines topics from a wide range of disciplines, such as Coordination number and Dissociation. In his articles, he combines various disciplines, including Molecular dynamics and Ternary operation.
His Chemical physics research integrates issues from Microscopy, Ionic bonding, Proton transport, Quantum tunnelling and Aqueous solution. The Electron motion study combines topics in areas such as Born–Oppenheimer approximation and Atoms in molecules. His Molecular physics study combines topics in areas such as Electronic structure, Spectral line, Hydrogen bond and Density functional theory.
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XFEL: The European X-Ray Free-Electron Laser - Technical Design Report
R. Abela;K. Witte;A. Schwarz;H. Redlin.
(2006)
Transport and spectroscopy of the hydrated proton: A molecular dynamics study
Rodolphe Vuilleumier;Daniel Borgis.
Journal of Chemical Physics (1999)
Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction
Jochen Blumberger;Leonardo Bernasconi;Ivano Tavernelli;Rodolphe Vuilleumier.
Journal of the American Chemical Society (2004)
An extended empirical valence bond model for describing proton transfer in H+(H2O)n clusters and liquid water
Rodolphe Vuilleumier;Daniel Borgis.
Chemical Physics Letters (1998)
Quantum Dynamics of an Excess Proton in Water Using an Extended Empirical Valence-Bond Hamiltonian
Rodolphe Vuilleumier;Daniel Borgis.
Journal of Physical Chemistry B (1998)
Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics
Benjamin Rotenberg;Benjamin Rotenberg;Virginie Marry;Rodolphe Vuilleumier;Natalie Malikova.
Geochimica et Cosmochimica Acta (2007)
Infrared Spectroscopy of N-Methylacetamide Revisited by ab Initio Molecular Dynamics Simulations
M.-P. Gaigeot;R. Vuilleumier;M. Sprik;D. Borgis.
Journal of Chemical Theory and Computation (2005)
Van der Waals effects in ab initio water at ambient and supercritical conditions.
Romain Jonchiere;Ari P. Seitsonen;Guillaume Ferlat;A. Marco Saitta.
Journal of Chemical Physics (2011)
Visualizing chemical reactions in solution by picosecond x-ray diffraction.
Anton Plech;Michael Wulff;Savo Bratos;Fabien Mirloup.
Physical Review Letters (2004)
Infrared spectroscopy in the gas and liquid phase from first principle molecular dynamics simulations: application to small peptides
Marie-Pierre Gaigeot;Michaël Martinez;Rodolphe Vuilleumier.
Molecular Physics (2007)
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