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Dr.-Ing. Pierre-Paul De Breuck
Interdisciplinary Centre For Advanced Materials Simulation
Ruhr-Universität Bochum
ZGH 01-121
Universiätsstr. 150
44801 Bochum
E-Mail: pierre-paul.debreuck@rub.de
Competences
AI for materials discovery
- P. Pires, T. Bispo Da Silva, K. Gao, K. Hiorth, et al.
Machine learning driven exploration of hydride superconductors at ambient pressure. Computational Materials Today, 10, 100052, (2026) - T. Cavignac, J. Schmidt, P. De Breuck, A. Loew, et al.
AI-driven expansion and application of the Alexandria database. Journal of Physics: Materials, 9, 025014, (2026) - P. De Breuck, H. Piracha, G. Rignanese, M. Marques
A generative material transformer using Wyckoff representation. npj Computational Materials, 12, 60, (2026) - P. De Breuck, H. Wang, G. Rignanese, S. Botti, M. Marques
Generative AI for crystal structures: a review. npj Computational Materials, 11, 370, (2025)