Ralf Drautz
Ruhr-Universität Bochum
H-index: 44
Europe-Germany
Top articles of Ralf Drautz
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Core structure of dislocations in ordered ferromagnetic FeCo | arXiv preprint arXiv:2402.10056 | Aleksei Egorov Antoine Kraych Matous Mrovec Ralf Drautz Thomas Hammerschmidt | 2024/2/15 |
Parametrization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re | Physical Review Materials | Aparna PA Subramanyam Jan Jenke Alvin N Ladines Ralf Drautz Thomas Hammerschmidt | 2024/1/17 |
Non-collinear magnetic atomic cluster expansion for iron | npj Computational Materials | Matteo Rinaldi Matous Mrovec Anton Bochkarev Yury Lysogorskiy Ralf Drautz | 2024/1/11 |
Large-scale atomistic simulation of diffusion in refractory metals and alloys | Physical Review Materials | Sergei Starikov Petr Grigorev Ralf Drautz Sergiy V Divinski | 2024/4/22 |
Structural transformations driven by local disorder at interfaces | Physical Review Materials | Yanyan Liang Grisell Díaz Leines Ralf Drautz Jutta Rogal | 2024/3/14 |
From electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyiron | arXiv preprint arXiv:2403.05724 | Sarath Menon Yury Lysogorskiy Alexander LM Knoll Niklas Leimeroth Marvin Poul | 2024/3/8 |
Using the Variational Quantum Thermalizer as an Impurity Solver | APS March Meeting Abstracts | Johannes Selisko Maximilian Amsler Thomas Hammerschmidt Ralf Drautz Thomas Eckl | 2023 |
A unifying perspective of common motifs that occur across disparate classes of materials harboring displacive phase transitions | Advanced Energy Materials | Anna Grünebohm Andreas Hütten Anna E Böhmer Jan Frenzel Ilya Eremin | 2023/8 |
Disordering complexion transition of grain boundaries in bcc metals: Insights from atomistic simulations | Acta Materialia | Sergei Starikov Ahmad Abbass R Drautz M Mrovec | 2023/12/1 |
Correlations of Composition, Structure, and Hardness in the High-Entropy Alloy System Nb–Mo–Ta–W | High Entropy Alloys & Materials | Bin Xiao Yury Lysogorskiy Alan Savan Heidi Bögershausen Janine Pfetzing-Micklich | 2023/3 |
Atomic cluster expansion for quantum-accurate large-scale simulations of carbon | Journal of Chemical Theory and Computation | Minaam Qamar Matous Mrovec Yury Lysogorskiy Anton Bochkarev Ralf Drautz | 2023/6/22 |
Atomic Cluster Expansion for semilocal interactions beyond equivariant message passing | arXiv preprint arXiv:2311.16326 | Anton Bochkarev Yury Lysogorskiy Ralf Drautz | 2023/11/27 |
Active learning strategies for atomic cluster expansion models | Physical Review Materials | Yury Lysogorskiy Anton Bochkarev Matous Mrovec Ralf Drautz | 2023/4/12 |
Atomic cluster expansion for a general-purpose interatomic potential of magnesium | Physical Review Materials | Eslam Ibrahim Yury Lysogorskiy Matous Mrovec Ralf Drautz | 2023/11/17 |
Atomistic simulations of diffusion in -strengthened Co-based superalloys and its connection to selective alumina formation in early-stage oxidation | Physical Review Materials | Lin Qin Dorota Kubacka Erdmann Spiecker Ralf Drautz Jutta Rogal | 2023/1/26 |
Magnetic bond-order potential for iron-cobalt alloys | Physical Review Materials | Aleksei Egorov Aparna PA Subramanyam Ziyi Yuan Ralf Drautz Thomas Hammerschmidt | 2023/4/10 |
Atomistic simulations of pipe diffusion in bcc transition metals | Acta Materialia | Sergei Starikov Vahid Jamebozorgi Daria Smirnova Ralf Drautz Matous Mrovec | 2023/11/1 |
Atomic cluster expansion for Pt–Rh catalysts: From ab initio to the simulation of nanoclusters in few steps | Journal of Materials Research | Yanyan Liang Matous Mrovec Yury Lysogorskiy Miquel Vega-Paredes Christina Scheu | 2023/12/28 |
Influence of spin fluctuations on structural phase transitions of iron | Physical Review B | Ning Wang Thomas Hammerschmidt Tilmann Hickel Jutta Rogal Ralf Drautz | 2023/3/29 |
Off-stoichiometric softening and polytypic transformations in the plastic deformation of the C14 Fe2Nb Laves phase | Acta Materialia | Alvin Noe Ladines Ralf Drautz Thomas Hammerschmidt | 2023/11/1 |
