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2024
- S. Menon, Y. Lysogorskiy, A. Knoll et al. From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows. npj Computational Materials, 10, 261, (2024)
- E. Ibrahim, Y. Lysogorskiy, R. Drautz. Efficient parametrization of transferable atomic cluster expansion for water. Journal of Chemical Theory and Computation, 20, 11049−11057, (2024)
- W. Luo, C. Gasper, S. Zhang et al. Non-basal plasticity in the μ-phase at room temperature. Acta Materialia, 277, 120202, (2024)
- A. Bochkarev, Y. Lysogorskiy, R. Drautz. Graph atomic cluster expansion for semilocal interactions beyond equivariant message passing. Physical Review X, 14, 021036, (2024)
- M. Rinaldi, M. Mrovec, A. Bochkarev et al. Non-collinear magnetic atomic cluster expansion for iron. npj Computational Materials, 10, 12, (2024)