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2021
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- M. Rinaldi, M. Mrovec, M. Fähnle et al. Determination of spin-wave stiffness in the Fe-Si system using first-principles calculations. Physical Review B, 104, 064413, (2021)
- S. Starikov, D. Smirnova, T. Pradhan et al. Angular-dependent interatomic potential for large-scale atomistic simulation of iron: development and comprehensive comparison with existing interatomic models. Physical Review Materials, 5, 063607, (2021)
- A. Ferrari, Y. Lysogorskiy, R. Drautz. Design of refractory compositionally complex alloys with optimal mechanical properties. Physical Review Materials, 5, 063606, (2021)
- Y. Lysogorskiy, C. van der Oord, A. Bochkarev et al. Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon. npj Computational Materials, 7, 97, (2021)
- P. Maffettone, L. Banko, P. Cui et al. Crystallography companion agent for high-throughput materials discovery. Nature Computational Science, 1, 290-297, (2021)