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Ralf Drautz

Ruhr-Universität Bochum

49H-index
309Paper Count
8.4KCitation Count
Published Papers 128
Publication Date
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Machine learning accelerated exploration of the global high pressure phase diagram
errMaterials Today
IF22
err2026-10-09
err0
PREAI
errPaulo R. Pires; Pierre-Paul De Breuck; Hai-Chen Wang; Théo Cavignac; Anton Bochkarev; Yury Lysogorskiy; Ralf Drautz; Jingming Shi; Silvana Botti; Miguel A.L. Marques
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errSave
Foundational Machine-Learning Interatomic Potential for Simulating Chemically Complex Ni-Based Superalloys
errAdvanced Engineering Materials
IF3.3
err2026-09-08
err0
errOAAI
errAditya Vishwakarma; Sarath Menon; Fritz Körmann; Thomas Hammerschmidt; Ralf Drautz
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errSave
Surface Segregation in Compositionally Complex Ag-Au-Pd-Pt Solid Solutions: Insights From High-Throughput Experimentation and Atomistic Simulations
errAdvanced Materials Interfaces
IF4.4
err2026-09-01
err0
errOAAI
errRidha Zerdoumi; Felix Thelen; Quentin Bizot; Aleksander Kostka; Rico Zehl; Florian Lourens; Yanyan Liang; Matous Mrovec; Ralf Drautz; Wolfgang Schuhmann; Alfred Ludwig
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errSave
Development and Applications of a Magnetism-Aware General-Purpose Atomic Cluster Expansion Potential for the Fe-O-H Ternary System
errAdvanced Science
IF14.1
err2026-07-28
err0
errOAAI
errBaptiste Bienvenu; Mira Todorova; Jörg Neugebauer; Dierk Raabe; Matous Mrovec; Ralf Drautz
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errSave
Recycling of NiTi Shape Memory Alloys: Fundamental and Technological Aspects of a Vacuum Induction Melting Processing Route
errAdvanced Engineering Materials
IF3.3
err2026-05-15
err0
errOAAI
errSakia Sophia Noorzayee; Son Tung Mai; Sarath Menon; Braulio Gadiel Sánchez Ortega; Ralf Drautz; Alexander Kauffmann; Gunther Eggeler; Jan Frenzel
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Water Phase Diagram from a General-Purpose Atomic Cluster Expansion Potential
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-28
err0
PREAI
errEslam Ibrahim; Yury Lysogorskiy; Ralf Drautz; Pablo M. Piaggi
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errSave
Data-efficient machine-learning of complex Fe–Mo intermetallics using domain knowledge of chemistry and crystallography
errnpj Computational Materials
IF11.9
err2026-04-20
err0
errOAAI
errMariano Forti; Alesya Malakhova; Yury Lysogorskiy; Wenhao Zhang; Jean-Claude Crivello; Jean-Marc Joubert; Ralf Drautz; Thomas Hammerschmidt
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errSave
Graph atomic cluster expansion for foundational machine learning interatomic potentials
errnpj Computational Materials
IF11.9
err2026-02-08
err0
errOAAI
errYury Lysogorskiy; Anton Bochkarev; Ralf Drautz
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errSave
Does Pb underpotential deposition rearrange surface-near atoms in AgAu films and nanoparticles?
errELECTROCHIMICA ACTA
IF5.6
err2025-04-01
err0
errOAAI
errNettler, Dean-Robin; Clausmeyer, Jan; Savan, Alan; Cignoni, Paolo; Rurainsky, Christian; Drautz, Ralf; Ludwig, Alfred; Tschulik, Kristina
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errSave
Adaptive-precision potentials for large-scale atomistic simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-21
err0
errOAAI
errImmel, David; Drautz, Ralf; Sutmann, Godehard
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errSave
Hydride-Induced Reconstruction of Pd Electrode Surfaces: A Combined Computational and Experimental Study
errADVANCED MATERIALS
IF26.8
err2024-12-04
err0
PREAI
errNgoipala, Apinya; Schott, Christian; Briega-Martos, Valentin; Qamar, Minaam; Mrovec, Matous; Nikkhah, Sousa Javan; Schmidt, Thorsten O.; Deville, Lewin; Capogrosso, Andrea; Moumaneix, Lilian; Kallio, Tanja; Viola, Arnaud; Maillard, Frederic; Drautz, Ralf; Bandarenka, Aliaksandr S.; Cherevko, Serhiy; Vandichel, Matthias; Gubanova, Elena L.
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From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-11-17
err1
errOAAI
errMenon, Sarath; Lysogorskiy, Yury; Knoll, Alexander L. M.; Leimeroth, Niklas; Poul, Marvin; Qamar, Minaam; Janssen, Jan; Mrovec, Matous; Rohrer, Jochen; Albe, Karsten; Behler, Joerg; Drautz, Ralf; Neugebauer, Joerg
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Efficient Parametrization of Transferable Atomic Cluster Expansion for Water
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-21
err1
PREAI
errIbrahim, Eslam; Lysogorskiy, Yury; Drautz, Ralf
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errSave
Core structure of dislocations in ordered ferromagnetic FeCo
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-09-11
err0
PREAI
errEgorov, Aleksei; Kraych, Antoine; Mrovec, Matous; Drautz, Ralf; Hammerschmidt, Thomas
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errSave
Non-basal plasticity in the μ-phase at room temperature
errACTA MATERIALIA
IF9.3
err2024-09-01
err1
errOAAI
errLuo, W.; Gasper, C.; Zhang, S.; Sun, P. L.; Ulumuddin, N.; Petrova, A.; Lysogorskiy, Y.; Drautz, R.; Xie, Z.; Korte-Kerzel, S.
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errSave
Graph Atomic Cluster Expansion for Semilocal Interactions beyond Equivariant Message Passing
errPHYSICAL REVIEW X
IF15.7
err2024-06-03
err7
errOAAI
errBochkarev, Anton; Lysogorskiy, Yury; Drautz, Ralf
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Large-scale atomistic simulation of diffusion in refractory metals and alloys
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-04-22
err5
PREAI
errStarikov, Sergei; Grigorev, Petr; Drautz, Ralf; Divinski, Sergiy V.
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errSave
Structural transformations driven by local disorder at interfaces
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-03-14
err1
errOAAI
errLiang, Yanyan; Leines, Grisell Diaz; Drautz, Ralf; Rogal, Jutta
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Parametrization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-01-17
err3
PREAI
errSubramanyam, Aparna P. A.; Jenke, Jan; Ladines, Alvin N.; Drautz, Ralf; Hammerschmidt, Thomas
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errSave
Non-collinear magnetic atomic cluster expansion for iron
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-01-11
err14
errOAAI
errRinaldi, Matteo; Mrovec, Matous; Bochkarev, Anton; Lysogorskiy, Yury; Drautz, Ralf
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Research Directions

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Co-authors
Cooperation Journals
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Wolfgang Schuhmann
H-index: 103 · Papers: 1.1K
J
Jörg Neugebauer
H-index: 99 · Papers: 1.3K
M
Martin Muhler
H-index: 92 · Papers: 788
G
Graeme Henkelman
H-index: 89 · Papers: 465
B
Baptiste Gault
H-index: 83 · Papers: 946
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