Ralf Drautz

Publication Activity (10 Years)

Years Active: 2016-2022
Publications (10 Years): 6

Top Topics

Distributed Memory

Matrix Multiplication

Top Venues

Comput. Phys. Commun.

J. Comput. Phys.

Int. J. High Perform. Comput. Appl.

Publications

Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi
The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials. CoRR (2022)
Isabel Pietka, Ralf Drautz, Thomas Hammerschmidt
strucscan: A lightweight Python-based framework for high-throughput material simulation. J. Open Source Softw. 7 (79) (2022)
Geneviève Dusson, Markus Bachmayr, Gábor Csányi, Ralf Drautz, Simon Etter, Cas van der Oord, Christoph Ortner
Atomic cluster expansion: Completeness, efficiency and stability. J. Comput. Phys. 454 (2022)
Carlos Teijeiro, Thomas Hammerschmidt, Ralf Drautz, Godehard Sutmann
Optimized parallel simulations of analytic bond-order potentials on hybrid shared/distributed memory with MPI and OpenMP. Int. J. High Perform. Comput. Appl. 33 (2) (2019)
Thomas Hammerschmidt, B. Seiser, Marvella E. Ford, A. N. Ladines, S. Schreiber, N. Wang, J. Jenke, Y. Lysogorskiy, Carlos Teijeiro, M. Mrovec, M. Cak, E. R. Margine, D. G. Pettifor, Ralf Drautz
BOPfox program for tight-binding and analytic bond-order potential calculations. Comput. Phys. Commun. 235 (2019)
Carlos Teijeiro, Thomas Hammerschmidt, Ralf Drautz, Godehard Sutmann
Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations. Comput. Phys. Commun. 204 (2016)