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Physical Review Letters
|
April 23, 2016
Molecular Hydrodynamics from Memory Kernels
Dominika Lesnicki, Rodolphe Vuilleumier, Antoine Carof, et al.
The Journal of Chemical Physics
|
March 10, 2019
Atomistic simulations of molten carbonates: Thermodynamic and transport properties of the Li<sub>2</sub>CO<sub>3</sub>-Na<sub>2</sub>CO<sub>3</sub>-K<sub>2</sub>CO<sub>3</sub> system
Elsa Desmaele, Nicolas Sator, Rodolphe Vuilleumier, et al.
Physical Review Letters
|
May 21, 2010
From localized orbitals to material properties: building classical force fields for nonmetallic condensed matter systems
Benjamin Rotenberg, Mathieu Salanne, Christian Simon, et al.
The Journal of Chemical Physics
|
May 24, 2011
Molecular density functional theory of solvation: from polar solvents to water
Shuangliang Zhao, Rosa Ramirez, Rodolphe Vuilleumier, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 17, 2020
Adiabatic motion and statistical mechanics via mass-zero constrained dynamics
Sara Bonella, Alessandro Coretti, Rodolphe Vuilleumier, et al.
The Journal of Chemical Physics
|
November 13, 2024
Spectroscopic properties under vibrational strong coupling in disordered matter from path-integral Monte Carlo simulations
Jaime de la Fuente Diez, Riccardo Spezia, Rodolphe Vuilleumier
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2020
Spontaneous liquid water dissociation on hybridised boron nitride and graphene atomic layers from ab initio molecular dynamics simulations
Benoît Grosjean, Anton Robert, Rodolphe Vuilleumier, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 9, 2013
Investigation of structure and dynamics of the hydrated metal-organic framework MIL-53(Cr) using first-principles molecular dynamics
Volker Haigis, François-Xavier Coudert, Rodolphe Vuilleumier, et al.
The Journal of Chemical Physics
|
November 7, 2012
Varying the charge of small cations in liquid water: structural, transport, and thermodynamical properties
Fausto Martelli, Rodolphe Vuilleumier, Jean-Pierre Simonin, et al.
The Journal of Physical Chemistry. B
|
August 11, 2006
An adiabatic linearized path integral approach for quantum time-correlation functions II: a cumulant expansion method for improving convergence
Maria Serena Causo, Giovanni Ciccotti, Sara Bonella, et al.
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of 10
Search research articles
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Showing results (31-40 of 92) with videos related to
Sort By:
Page
of 10
Physical Review Letters
|
April 23, 2016
Molecular Hydrodynamics from Memory Kernels
Dominika Lesnicki, Rodolphe Vuilleumier, Antoine Carof, et al.
The Journal of Chemical Physics
|
March 10, 2019
Atomistic simulations of molten carbonates: Thermodynamic and transport properties of the Li<sub>2</sub>CO<sub>3</sub>-Na<sub>2</sub>CO<sub>3</sub>-K<sub>2</sub>CO<sub>3</sub> system
Elsa Desmaele, Nicolas Sator, Rodolphe Vuilleumier, et al.
Physical Review Letters
|
May 21, 2010
From localized orbitals to material properties: building classical force fields for nonmetallic condensed matter systems
Benjamin Rotenberg, Mathieu Salanne, Christian Simon, et al.
The Journal of Chemical Physics
|
May 24, 2011
Molecular density functional theory of solvation: from polar solvents to water
Shuangliang Zhao, Rosa Ramirez, Rodolphe Vuilleumier, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 17, 2020
Adiabatic motion and statistical mechanics via mass-zero constrained dynamics
Sara Bonella, Alessandro Coretti, Rodolphe Vuilleumier, et al.
The Journal of Chemical Physics
|
November 13, 2024
Spectroscopic properties under vibrational strong coupling in disordered matter from path-integral Monte Carlo simulations
Jaime de la Fuente Diez, Riccardo Spezia, Rodolphe Vuilleumier
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2020
Spontaneous liquid water dissociation on hybridised boron nitride and graphene atomic layers from ab initio molecular dynamics simulations
Benoît Grosjean, Anton Robert, Rodolphe Vuilleumier, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 9, 2013
Investigation of structure and dynamics of the hydrated metal-organic framework MIL-53(Cr) using first-principles molecular dynamics
Volker Haigis, François-Xavier Coudert, Rodolphe Vuilleumier, et al.
The Journal of Chemical Physics
|
November 7, 2012
Varying the charge of small cations in liquid water: structural, transport, and thermodynamical properties
Fausto Martelli, Rodolphe Vuilleumier, Jean-Pierre Simonin, et al.
The Journal of Physical Chemistry. B
|
August 11, 2006
An adiabatic linearized path integral approach for quantum time-correlation functions II: a cumulant expansion method for improving convergence
Maria Serena Causo, Giovanni Ciccotti, Sara Bonella, et al.
Page
of 10