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2026
- F. Körmann, Y. Ikeda, K. Glazyrin et al. Hydrogen uptake and hydride formation in AlxCoCrFeNi high-entropy alloys: First-principles, universal-potential, and experimental study. Acta Materialia, 313, 122300, (2026)
- T. Cavignac, J. Schmidt, P. De Breuck et al. AI-driven expansion and application of the Alexandria database. Journal of Physics: Materials, 9, 025014, (2026)
- S. Noorzayee, S. Mai, S. Menon et al. Recycling of NiTi shape memory alloys: fundamental and technological aspects of a vacuum induction melting processing route. Advanced Engineering Materials, 1, e202503197, (2026)
- A. Azócar Guzmán, H. Luu, S. Menon et al. Toward knowledge‐based workflows: a semantic approach to atomistic simulations for mechanical and thermodynamic properties. Advanced Engineering Materials, 28, e70869, (2026)
- E. Ibrahim, Y. Lysogorskiy, R. Drautz et al. Water phase diagram from a general-purpose atomic cluster expansion potential. Journal of Chemical Theory and Computation, 22, 4758, (2026)
- S. Brinckmann, S. Menon, R. Röske et al. A lightweight procedural layer for hybrid experimental–computational workflows in materials science. Advanced Engineering Materials, 1, e202503176, (2026)
- M. Forti, A. Malakhova, Y. Lysogorskiy et al. Data-efficient machine-learning of complex Fe–Mo intermetallics using domain knowledge of chemistry and crystallography. npj Computational Materials, 12, 161, (2026)
- Y. Lysogorskiy, A. Bochkarev, R. Drautz. Graph atomic cluster expansion for foundational machine learning interatomic potentials. npj Computational Materials, 12, 114, (2026)
- S. Menon, A. Azócar Guzmán, O. Waseda et al. tools4RDF: A Python toolkit for working with RDF data. Journal of Open Source Software, 11, 1, (2026)