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Journal of Chemical Theory and Computation
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November 24, 2015
Nuclear Velocity Perturbation Theory of Vibrational Circular Dichroism
A Scherrer, R Vuilleumier, D Sebastiani
The Journal of Chemical Physics
|
July 2, 2026
Anharmonic phonons via quantum thermal bath simulations
T Baird, R Vuilleumier, S Bonella
The Journal of Chemical Physics
|
December 13, 2022
Mass-zero constrained dynamics for simulations based on orbital-free density functional theory
A Coretti, T Baird, R Vuilleumier, et al.
The Journal of Physical Chemistry. B
|
August 2, 2008
Molecular dynamics study of the coordination sphere of trivalent lanthanum in a highly concentrated LiCl aqueous solution: a combined classical and ab initio approach
L Petit, R Vuilleumier, P Maldivi, et al.
Optics Letters
|
October 28, 2009
Sparse matrix wave-front estimators for adaptive-optics systems for large ground-based telescopes
W J Wild, E J Kibblewhite, R Vuilleumier
Journal of Chemical Theory and Computation
|
December 5, 2015
Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution
L Petit, R Vuilleumier, P Maldivi, et al.
The Journal of Chemical Physics
|
September 1, 2014
Computing thermal Wigner densities with the phase integration method
J Beutier, D Borgis, R Vuilleumier, et al.
The Journal of Chemical Physics
|
July 9, 2021
Probing anharmonic phonons by quantum correlators: A path integral approach
T Morresi, L Paulatto, R Vuilleumier, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
Infrared Spectroscopy of N-Methylacetamide Revisited by ab Initio Molecular Dynamics Simulations
M P Gaigeot, R Vuilleumier, M Sprik, et al.
The Journal of Chemical Physics
|
October 18, 2006
Extracting effective normal modes from equilibrium dynamics at finite temperature
M Martinez, M-P Gaigeot, D Borgis, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 24, 2015
Nuclear Velocity Perturbation Theory of Vibrational Circular Dichroism
A Scherrer, R Vuilleumier, D Sebastiani
The Journal of Chemical Physics
|
July 2, 2026
Anharmonic phonons via quantum thermal bath simulations
T Baird, R Vuilleumier, S Bonella
The Journal of Chemical Physics
|
December 13, 2022
Mass-zero constrained dynamics for simulations based on orbital-free density functional theory
A Coretti, T Baird, R Vuilleumier, et al.
The Journal of Physical Chemistry. B
|
August 2, 2008
Molecular dynamics study of the coordination sphere of trivalent lanthanum in a highly concentrated LiCl aqueous solution: a combined classical and ab initio approach
L Petit, R Vuilleumier, P Maldivi, et al.
Optics Letters
|
October 28, 2009
Sparse matrix wave-front estimators for adaptive-optics systems for large ground-based telescopes
W J Wild, E J Kibblewhite, R Vuilleumier
Journal of Chemical Theory and Computation
|
December 5, 2015
Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution
L Petit, R Vuilleumier, P Maldivi, et al.
The Journal of Chemical Physics
|
September 1, 2014
Computing thermal Wigner densities with the phase integration method
J Beutier, D Borgis, R Vuilleumier, et al.
The Journal of Chemical Physics
|
July 9, 2021
Probing anharmonic phonons by quantum correlators: A path integral approach
T Morresi, L Paulatto, R Vuilleumier, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
Infrared Spectroscopy of N-Methylacetamide Revisited by ab Initio Molecular Dynamics Simulations
M P Gaigeot, R Vuilleumier, M Sprik, et al.
The Journal of Chemical Physics
|
October 18, 2006
Extracting effective normal modes from equilibrium dynamics at finite temperature
M Martinez, M-P Gaigeot, D Borgis, et al.
Page
of 2