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Chemical Science
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January 8, 2025
Absolute standard hydrogen electrode potential and redox potentials of atoms and molecules: machine learning aided first principles calculations
Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse
The Journal of Chemical Physics
|
March 9, 2021
First-principles hydration free energies of oxygenated species at water-platinum interfaces
Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2020
On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations
Ryosuke Jinnouchi, Kazutoshi Miwa, Ferenc Karsai, et al.
Physical Review Letters
|
July 9, 2019
Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference
Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai, et al.
The Journal of Chemical Physics
|
June 24, 2020
Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials
Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi, et al.
The Journal of Physical Chemistry Letters
|
April 5, 2023
Proton Transport in Perfluorinated Ionomer Simulated by Machine-Learned Interatomic Potential
Ryosuke Jinnouchi, Saori Minami, Ferenc Karsai, et al.
Physical Review Letters
|
March 3, 2023
Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111)
Peitao Liu, Jiantao Wang, Noah Avargues, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Chemical Science
|
January 8, 2025
Absolute standard hydrogen electrode potential and redox potentials of atoms and molecules: machine learning aided first principles calculations
Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse
The Journal of Chemical Physics
|
March 9, 2021
First-principles hydration free energies of oxygenated species at water-platinum interfaces
Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2020
On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations
Ryosuke Jinnouchi, Kazutoshi Miwa, Ferenc Karsai, et al.
Physical Review Letters
|
July 9, 2019
Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference
Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai, et al.
The Journal of Chemical Physics
|
June 24, 2020
Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials
Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi, et al.
The Journal of Physical Chemistry Letters
|
April 5, 2023
Proton Transport in Perfluorinated Ionomer Simulated by Machine-Learned Interatomic Potential
Ryosuke Jinnouchi, Saori Minami, Ferenc Karsai, et al.
Physical Review Letters
|
March 3, 2023
Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111)
Peitao Liu, Jiantao Wang, Noah Avargues, et al.
Page
of 1