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Journal of Chemical Theory and Computation
|
April 7, 2018
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations
Elisa Liberatore, Rocco Meli, Ursula Rothlisberger
Journal of Chemical Information and Modeling
|
March 5, 2025
BB-SAR: An Application for Data-driven Analysis and Rational Design of Medicinal Chemistry Series
Florent Chevillard, Sandrine Hell, Elisa Liberatore
The Journal of Chemical Physics
|
May 17, 2011
Liquid-solid transition in fully ionized hydrogen at ultra-high pressures
Elisa Liberatore, Carlo Pierleoni, D M Ceperley
The Journal of Chemical Physics
|
November 14, 2025
Machine learning-enhanced multiple time-step ab initio molecular dynamics
François Mouvet, Nicholas J Browning, Pablo Baudin, et al.
Journal of Computational Chemistry
|
February 11, 2022
A theoretical perspective of the ultrafast transient absorption dynamics of CsPbBr<sub>3</sub>
Ariadni Boziki, Pablo Baudin, Elisa Liberatore, et al.
Physical Review Letters
|
August 8, 2015
Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations
Norm M Tubman, Elisa Liberatore, Carlo Pierleoni, et al.
The Journal of Physical Chemistry Letters
|
May 4, 2016
Ultrafast Relaxation Dynamics of the Ethylene Cation C(2)H(4)+
André Ludwig, Elisa Liberatore, Jens Herrmann, et al.
Structural Dynamics (Melville, N.Y.)
|
January 30, 2018
Nonadiabatic effects in electronic and nuclear dynamics
Martin P Bircher, Elisa Liberatore, Nicholas J Browning, et al.
Structural Dynamics (Melville, N.Y.)
|
January 16, 2018
Charge migration and charge transfer in molecular systems
Hans Jakob Wörner, Christopher A Arrell, Natalie Banerji, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
April 7, 2018
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations
Elisa Liberatore, Rocco Meli, Ursula Rothlisberger
Journal of Chemical Information and Modeling
|
March 5, 2025
BB-SAR: An Application for Data-driven Analysis and Rational Design of Medicinal Chemistry Series
Florent Chevillard, Sandrine Hell, Elisa Liberatore
The Journal of Chemical Physics
|
May 17, 2011
Liquid-solid transition in fully ionized hydrogen at ultra-high pressures
Elisa Liberatore, Carlo Pierleoni, D M Ceperley
The Journal of Chemical Physics
|
November 14, 2025
Machine learning-enhanced multiple time-step ab initio molecular dynamics
François Mouvet, Nicholas J Browning, Pablo Baudin, et al.
Journal of Computational Chemistry
|
February 11, 2022
A theoretical perspective of the ultrafast transient absorption dynamics of CsPbBr<sub>3</sub>
Ariadni Boziki, Pablo Baudin, Elisa Liberatore, et al.
Physical Review Letters
|
August 8, 2015
Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations
Norm M Tubman, Elisa Liberatore, Carlo Pierleoni, et al.
The Journal of Physical Chemistry Letters
|
May 4, 2016
Ultrafast Relaxation Dynamics of the Ethylene Cation C(2)H(4)+
André Ludwig, Elisa Liberatore, Jens Herrmann, et al.
Structural Dynamics (Melville, N.Y.)
|
January 30, 2018
Nonadiabatic effects in electronic and nuclear dynamics
Martin P Bircher, Elisa Liberatore, Nicholas J Browning, et al.
Structural Dynamics (Melville, N.Y.)
|
January 16, 2018
Charge migration and charge transfer in molecular systems
Hans Jakob Wörner, Christopher A Arrell, Natalie Banerji, et al.
Page
of 1