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The Journal of Physical Chemistry. B
|
November 8, 2024
Analysis of Local Structure of Mechanical and Thermal Rearrangements in Glasses with the Atomic Cluster Expansion
Jörg Rottler, Christoph Ortner
Archive for Rational Mechanics and Analysis
|
September 27, 2022
Body-Ordered Approximations of Atomic Properties
Jack Thomas, Huajie Chen, Christoph Ortner
Scientific Reports
|
September 20, 2018
Preconditioners for the geometry optimisation and saddle point search of molecular systems
Letif Mones, Christoph Ortner, Gábor Csányi
The Journal of Chemical Physics
|
October 22, 2020
Sensitivity and dimensionality of atomic environment representations used for machine learning interatomic potentials
Berk Onat, Christoph Ortner, James R Kermode
Npj Computational Materials
|
July 3, 2026
Flexible uncertainty calibration for machine-learned interatomic potentials
Cheuk Hin Ho, Christoph Ortner, YangShuai Wang
The Journal of Chemical Physics
|
March 10, 2019
A preconditioning scheme for minimum energy path finding methods
Stela Makri, Christoph Ortner, James R Kermode
Open Research Europe
|
August 30, 2023
Local invertibility and sensitivity of atomic structure-feature mappings
Sergey N Pozdnyakov, Liwei Zhang, Christoph Ortner, et al.
Chemical Reviews
|
July 26, 2021
Physics-Inspired Structural Representations for Molecules and Materials
Felix Musil, Andrea Grisafi, Albert P Bartók, et al.
Npj Computational Materials
|
April 26, 2024
Hyperactive learning for data-driven interatomic potentials
Cas van der Oord, Matthias Sachs, Dávid Péter Kovács, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 15, 2017
Polytypism in the ground state structure of the Lennard-Jonesium
Lívia B Pártay, Christoph Ortner, Albert P Bartók, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. B
|
November 8, 2024
Analysis of Local Structure of Mechanical and Thermal Rearrangements in Glasses with the Atomic Cluster Expansion
Jörg Rottler, Christoph Ortner
Archive for Rational Mechanics and Analysis
|
September 27, 2022
Body-Ordered Approximations of Atomic Properties
Jack Thomas, Huajie Chen, Christoph Ortner
Scientific Reports
|
September 20, 2018
Preconditioners for the geometry optimisation and saddle point search of molecular systems
Letif Mones, Christoph Ortner, Gábor Csányi
The Journal of Chemical Physics
|
October 22, 2020
Sensitivity and dimensionality of atomic environment representations used for machine learning interatomic potentials
Berk Onat, Christoph Ortner, James R Kermode
Npj Computational Materials
|
July 3, 2026
Flexible uncertainty calibration for machine-learned interatomic potentials
Cheuk Hin Ho, Christoph Ortner, YangShuai Wang
The Journal of Chemical Physics
|
March 10, 2019
A preconditioning scheme for minimum energy path finding methods
Stela Makri, Christoph Ortner, James R Kermode
Open Research Europe
|
August 30, 2023
Local invertibility and sensitivity of atomic structure-feature mappings
Sergey N Pozdnyakov, Liwei Zhang, Christoph Ortner, et al.
Chemical Reviews
|
July 26, 2021
Physics-Inspired Structural Representations for Molecules and Materials
Felix Musil, Andrea Grisafi, Albert P Bartók, et al.
Npj Computational Materials
|
April 26, 2024
Hyperactive learning for data-driven interatomic potentials
Cas van der Oord, Matthias Sachs, Dávid Péter Kovács, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 15, 2017
Polytypism in the ground state structure of the Lennard-Jonesium
Lívia B Pártay, Christoph Ortner, Albert P Bartók, et al.
Page
of 2