Ralf Drautz

According to our database, Ralf Drautz authored at least 8 papers between 2016 and 2025.

Collaborative distances:

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

2025

A practical guide to machine learning interatomic potentials - Status and future.

Ryan Jacobs, Dane Morgan, Siamak Attarian, Jun Meng, Chen Shen, Zhenghao Wu, Clare Yijia Xie, Julia H. Yang, Nongnuch Artrith, Ben Blaiszik, Gerbrand Ceder, Kamal Choudhary, Gábor Csányi, Ekin Dogus Cubuk, Bowen Deng, Ralf Drautz, Xiang Fu, Jonathan Godwin, Vasant G. Honavar, Olexandr Isayev, Anders Johansson, Boris Kozinsky, Stefano Martiniani, Shyue Ping Ong, Igor Poltavsky, K. J. Schmidt, So Takamoto, Aidan Thompson, Julia Westermayr, Brandon M. Wood

CoRR, March, 2025

The design space of E(3)-equivariant atom-centred interatomic potentials.

Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi

Nat. Mac. Intell., 2025

2022

strucscan: A lightweight Python-based framework for high-throughput material simulation.

Isabel Pietka, Ralf Drautz, Thomas Hammerschmidt

J. Open Source Softw., November, 2022

Atomic cluster expansion: Completeness, efficiency and stability.

Geneviève Dusson, Markus Bachmayr, Gábor Csányi, Ralf Drautz, Simon Etter, Cas van der Oord, Christoph Ortner

J. Comput. Phys., 2022

The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.

Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi

CoRR, 2022

2019

Optimized parallel simulations of analytic bond-order potentials on hybrid shared/distributed memory with MPI and OpenMP.

Carlos Teijeiro, Thomas Hammerschmidt, Ralf Drautz, Godehard Sutmann

Int. J. High Perform. Comput. Appl., 2019

BOPfox program for tight-binding and analytic bond-order potential calculations.

Thomas Hammerschmidt, Bernhard Seiser, Michael E. Ford, Alvin N. Ladines, Sebastian Schreiber, Ning Wang, Jan Jenke, Yury Lysogorskiy, Carlos Teijeiro, Matous Mrovec, M. Cak, E. R. Margine, D. G. Pettifor, Ralf Drautz

Comput. Phys. Commun., 2019

2016

Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations.

Carlos Teijeiro, Thomas Hammerschmidt, Ralf Drautz, Godehard Sutmann

Comput. Phys. Commun., 2016