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Johannes T. Margraf
ORCID
Publication Activity (10 Years)
Years Active: 2020-2022
Publications (10 Years): 3
Top Topics
Distributed Shared Memory
Sum Product
Molecular Dynamics Simulations
Ldpc Codes
Top Venues
Mach. Learn. Sci. Technol.
CoRR
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Publications
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Sina Stocker
,
Johannes Gasteiger
,
Florian Becker
,
Stephan Günnemann
,
Johannes T. Margraf
How robust are modern graph neural network potentials in long and hot molecular dynamics simulations?
Mach. Learn. Sci. Technol.
3 (4) (2022)
Carsten G. Staacke
,
Simon Wengert
,
Christian Kunkel
,
Gábor Csányi
,
Karsten Reuter
,
Johannes T. Margraf
Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model.
Mach. Learn. Sci. Technol.
3 (1) (2022)
Johannes Klicpera
,
Shankari Giri
,
Johannes T. Margraf
,
Stephan Günnemann
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules.
CoRR
(2020)