Karsten Reuter

Publication Activity (10 Years)

Years Active: 2009-2022
Publications (10 Years): 5

Top Topics

Physical Processes

Parallel Architectures

Graph Representation

Top Venues

Mach. Learn. Sci. Technol.

Comput. Phys. Commun.

Nat. Comput. Sci.

Publications

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)
Wenbin Xu, Karsten Reuter, Mie Andersen
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation. Nat. Comput. Sci. 2 (7) (2022)
Pavel Kus, Andreas Marek, Simone S. Köcher, Hagen-Henrik Kowalski, Christian Carbogno, Christoph Scheurer, Karsten Reuter, Matthias Scheffler, Hermann Lederer
Optimizations of the eigensolvers in the ELPA library. Parallel Comput. 85 (2019)
Hans-Joachim Bungartz, Christian Carbogno, Martin Galgon, Thomas Huckle, Simone S. Köcher, Hagen-Henrik Kowalski, Pavel Kus, Bruno Lang, Hermann Lederer, Valeriy Manin, Andreas Marek, Karsten Reuter, Michael Rippl, Matthias Scheffler, Christoph Scheurer
ELPA: A Parallel Solver for the Generalized Eigenvalue Problem. PARCO (2019)
Pavel Kus, Andreas Marek, Simone S. Koecher, Hagen-Henrik Kowalski, Christian Carbogno, Christoph Scheurer, Karsten Reuter, Matthias Scheffler, Hermann Lederer
Optimizations of the Eigensolvers in the ELPA Library. CoRR (2018)
Max J. Hoffmann, Sebastian Matera, Karsten Reuter
kmos: A lattice kinetic Monte Carlo framework. Comput. Phys. Commun. 185 (7) (2014)
Volker Blum, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xinguo Ren, Karsten Reuter, Matthias Scheffler
Ab initio molecular simulations with numeric atom-centered orbitals. Comput. Phys. Commun. 180 (11) (2009)