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Physical Chemistry Chemical Physics : PCCP
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November 9, 2019
Quantum nature of the hydrogen bond from ambient conditions down to ultra-low temperatures
Christoph Schran, Dominik Marx
Journal of Chemical Theory and Computation
|
November 20, 2019
Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground
Christoph Schran, Jörg Behler, Dominik Marx
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
The Journal of Chemical Physics
|
September 16, 2020
Committee neural network potentials control generalization errors and enable active learning
Christoph Schran, Krystof Brezina, Ondrej Marsalek
Faraday Discussions
|
April 23, 2026
When is nanoconfined water different from interfacial water?
Xavier R Advincula, Christoph Schran, Angelos Michaelides
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2024
Theoretical infrared spectroscopy of protonated methane isotopologues
Richard Beckmann, Christoph Schran, Fabien Brieuc, et al.
Physical Review Letters
|
January 30, 2016
Correlated Particle Motion and THz Spectral Response of Supercritical Water
Maciej Śmiechowski, Christoph Schran, Harald Forbert, et al.
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.
Page
of 5
Search research articles
Search
Showing results (1-10 of 42) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
November 9, 2019
Quantum nature of the hydrogen bond from ambient conditions down to ultra-low temperatures
Christoph Schran, Dominik Marx
Journal of Chemical Theory and Computation
|
November 20, 2019
Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground
Christoph Schran, Jörg Behler, Dominik Marx
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
The Journal of Chemical Physics
|
September 16, 2020
Committee neural network potentials control generalization errors and enable active learning
Christoph Schran, Krystof Brezina, Ondrej Marsalek
Faraday Discussions
|
April 23, 2026
When is nanoconfined water different from interfacial water?
Xavier R Advincula, Christoph Schran, Angelos Michaelides
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2024
Theoretical infrared spectroscopy of protonated methane isotopologues
Richard Beckmann, Christoph Schran, Fabien Brieuc, et al.
Physical Review Letters
|
January 30, 2016
Correlated Particle Motion and THz Spectral Response of Supercritical Water
Maciej Śmiechowski, Christoph Schran, Harald Forbert, et al.
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.
Page
of 5