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Journal of Chemical Theory and Computation
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January 23, 2016
Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation
Fabien Brieuc, Hichem Dammak, Marc Hayoun
Journal of Chemical Theory and Computation
|
September 16, 2018
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation Down to Ultralow Temperatures at Coupled Cluster Accuracy
Christoph Schran, Fabien Brieuc, Dominik Marx
The Journal of Chemical Physics
|
February 9, 2021
Transferability of machine learning potentials: Protonated water neural network potential applied to the protonated water hexamer
Christoph Schran, Fabien Brieuc, Dominik Marx
Journal of Chemical Theory and Computation
|
September 22, 2020
Deciphering High-Order Structural Correlations within Fluxional Molecules from Classical and Quantum Configurational Entropy
Rafał Topolnicki, Fabien Brieuc, Christoph Schran, et al.
The Journal of Chemical Physics
|
August 20, 2022
Neural network interaction potentials for para-hydrogen with flexible molecules
Laura DuránCaballero, Christoph Schran, Fabien Brieuc, et al.
Journal of Chemical Theory and Computation
|
August 23, 2022
Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representations
Richard Beckmann, Fabien Brieuc, Christoph Schran, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2024
Theoretical infrared spectroscopy of protonated methane isotopologues
Richard Beckmann, Christoph Schran, Fabien Brieuc, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2019
Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation
Hichem Dammak, Fabien Brieuc, Grégory Geneste, et al.
The Journal of Chemical Physics
|
June 8, 2020
Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective
Fabien Brieuc, Christoph Schran, Felix Uhl, et al.
Journal of Chemical Theory and Computation
|
October 22, 2016
Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations
Fabien Brieuc, Yael Bronstein, Hichem Dammak, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
January 23, 2016
Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation
Fabien Brieuc, Hichem Dammak, Marc Hayoun
Journal of Chemical Theory and Computation
|
September 16, 2018
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation Down to Ultralow Temperatures at Coupled Cluster Accuracy
Christoph Schran, Fabien Brieuc, Dominik Marx
The Journal of Chemical Physics
|
February 9, 2021
Transferability of machine learning potentials: Protonated water neural network potential applied to the protonated water hexamer
Christoph Schran, Fabien Brieuc, Dominik Marx
Journal of Chemical Theory and Computation
|
September 22, 2020
Deciphering High-Order Structural Correlations within Fluxional Molecules from Classical and Quantum Configurational Entropy
Rafał Topolnicki, Fabien Brieuc, Christoph Schran, et al.
The Journal of Chemical Physics
|
August 20, 2022
Neural network interaction potentials for para-hydrogen with flexible molecules
Laura DuránCaballero, Christoph Schran, Fabien Brieuc, et al.
Journal of Chemical Theory and Computation
|
August 23, 2022
Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representations
Richard Beckmann, Fabien Brieuc, Christoph Schran, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2024
Theoretical infrared spectroscopy of protonated methane isotopologues
Richard Beckmann, Christoph Schran, Fabien Brieuc, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2019
Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation
Hichem Dammak, Fabien Brieuc, Grégory Geneste, et al.
The Journal of Chemical Physics
|
June 8, 2020
Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective
Fabien Brieuc, Christoph Schran, Felix Uhl, et al.
Journal of Chemical Theory and Computation
|
October 22, 2016
Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations
Fabien Brieuc, Yael Bronstein, Hichem Dammak, et al.
Page
of 2