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Journal of Chemical Theory and Computation
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January 25, 2019
Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials
Andreas Singraber, Jörg Behler, Christoph Dellago
Faraday Discussions
|
October 7, 2016
S-shooting: a Bennett-Chandler-like method for the computation of rate constants from committor trajectories
Georg Menzl, Andreas Singraber, Christoph Dellago
Proceedings of the National Academy of Sciences of the United States of America
|
July 13, 2016
How van der Waals interactions determine the unique properties of water
Tobias Morawietz, Andreas Singraber, Christoph Dellago, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
May 16, 2018
Density anomaly of water at negative pressures from first principles
Andreas Singraber, Tobias Morawietz, Jörg Behler, et al.
Journal of Chemical Theory and Computation
|
April 18, 2019
Parallel Multistream Training of High-Dimensional Neural Network Potentials
Andreas Singraber, Tobias Morawietz, Jörg Behler, et al.
The Journal of Chemical Physics
|
March 25, 2025
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
Emir Kocer, Andreas Singraber, Jonas A Finkler, 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
Journal of Chemical Theory and Computation
|
January 25, 2019
Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials
Andreas Singraber, Jörg Behler, Christoph Dellago
Faraday Discussions
|
October 7, 2016
S-shooting: a Bennett-Chandler-like method for the computation of rate constants from committor trajectories
Georg Menzl, Andreas Singraber, Christoph Dellago
Proceedings of the National Academy of Sciences of the United States of America
|
July 13, 2016
How van der Waals interactions determine the unique properties of water
Tobias Morawietz, Andreas Singraber, Christoph Dellago, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
May 16, 2018
Density anomaly of water at negative pressures from first principles
Andreas Singraber, Tobias Morawietz, Jörg Behler, et al.
Journal of Chemical Theory and Computation
|
April 18, 2019
Parallel Multistream Training of High-Dimensional Neural Network Potentials
Andreas Singraber, Tobias Morawietz, Jörg Behler, et al.
The Journal of Chemical Physics
|
March 25, 2025
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
Emir Kocer, Andreas Singraber, Jonas A Finkler, 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