Karsten Reuter

According to our database, Karsten Reuter authored at least 6 papers between 2009 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation.

Wenbin Xu, Karsten Reuter, Mie Andersen

Nat. Comput. Sci., 2022

Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model.

Carsten G. Staacke, Simon Wengert, Christian Kunkel, Gábor Csányi, Karsten Reuter, Johannes T. Margraf

Mach. Learn. Sci. Technol., 2022

2019

Optimizations of the eigensolvers in the ELPA library.

Pavel Kus, Andreas Marek, Simone S. Köcher, Hagen-Henrik Kowalski, Christian Carbogno, Christoph Scheurer, Karsten Reuter, Matthias Scheffler, Hermann Lederer

Parallel Comput., 2019

ELPA: A Parallel Solver for the Generalized Eigenvalue Problem.

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

Proceedings of the Parallel Computing: Technology Trends, 2019

2014

kmos: A lattice kinetic Monte Carlo framework.

Max J. Hoffmann, Sebastian Matera, Karsten Reuter

Comput. Phys. Commun., 2014

2009

Ab initio molecular simulations with numeric atom-centered orbitals.

Volker Blum, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xinguo Ren, Karsten Reuter, Matthias Scheffler

Comput. Phys. Commun., 2009