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Physical Chemistry Chemical Physics : PCCP
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September 15, 2011
Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations
Jörg Behler
Angewandte Chemie (International Ed. in English)
|
May 19, 2017
First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems
Jörg Behler
The Journal of Chemical Physics
|
November 10, 2016
Perspective: Machine learning potentials for atomistic simulations
Jörg Behler
Chemical Reviews
|
March 29, 2021
Four Generations of High-Dimensional Neural Network Potentials
Jörg Behler
The Journal of Chemical Physics
|
August 12, 2017
Erratum: "Perspective: Machine learning potentials for atomistic simulations" [J. Chem. Phys. 145, 170901 (2016)]
Jörg Behler
The Journal of Chemical Physics
|
February 24, 2011
Atom-centered symmetry functions for constructing high-dimensional neural network potentials
Jörg Behler
The Journal of Chemical Physics
|
January 1, 2022
Insights into lithium manganese oxide-water interfaces using machine learning potentials
Marco Eckhoff, Jörg Behler
Physical Review Letters
|
May 16, 2007
Generalized neural-network representation of high-dimensional potential-energy surfaces
Jörg Behler, Michele Parrinello
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2017
Surface phase diagram prediction from a minimal number of DFT calculations: redox-active adsorbates on zinc oxide
Matti Hellström, Jörg Behler
The Journal of Physical Chemistry. A
|
April 6, 2013
A density-functional theory-based neural network potential for water clusters including van der Waals corrections
Tobias Morawietz, Jörg Behler
Page
of 9
Search research articles
Search
Showing results (1-10 of 89) with videos related to
Sort By:
Page
of 9
Physical Chemistry Chemical Physics : PCCP
|
September 15, 2011
Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations
Jörg Behler
Angewandte Chemie (International Ed. in English)
|
May 19, 2017
First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems
Jörg Behler
The Journal of Chemical Physics
|
November 10, 2016
Perspective: Machine learning potentials for atomistic simulations
Jörg Behler
Chemical Reviews
|
March 29, 2021
Four Generations of High-Dimensional Neural Network Potentials
Jörg Behler
The Journal of Chemical Physics
|
August 12, 2017
Erratum: "Perspective: Machine learning potentials for atomistic simulations" [J. Chem. Phys. 145, 170901 (2016)]
Jörg Behler
The Journal of Chemical Physics
|
February 24, 2011
Atom-centered symmetry functions for constructing high-dimensional neural network potentials
Jörg Behler
The Journal of Chemical Physics
|
January 1, 2022
Insights into lithium manganese oxide-water interfaces using machine learning potentials
Marco Eckhoff, Jörg Behler
Physical Review Letters
|
May 16, 2007
Generalized neural-network representation of high-dimensional potential-energy surfaces
Jörg Behler, Michele Parrinello
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2017
Surface phase diagram prediction from a minimal number of DFT calculations: redox-active adsorbates on zinc oxide
Matti Hellström, Jörg Behler
The Journal of Physical Chemistry. A
|
April 6, 2013
A density-functional theory-based neural network potential for water clusters including van der Waals corrections
Tobias Morawietz, Jörg Behler
Page
of 9