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Home » Institute » Departments & Research Groups » Atomistic Modelling and Simulation » AMS Publications

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  • M. Rinaldi, A. Bochkarev, Y. Lysogorskiy et al. Charge-constrained atomic cluster expansion. Physical Review Materials, 9, 033802, (2025)
  • B. Bienvenu, M. Todorova, J. Neugebauer et al. Development of an atomic cluster expansion potential for iron and its oxides. npj Computational Materials, 11, 81, (2025)
  • L. A. Ávila Calderón, Y. Shakeel, A. Gedsun et al. Management of reference data in materials science and engineering exemplified for creep data of a single-crystalline Ni-based superalloy. Acta Materialia, 286, 120735, (2025)
  • F. F Morgado, L. Stephenson, S. Bhatt et al. Stacking fault segregation imaging with analytical field ion microscopy. Microscopy and Microanalysis, 31, ozae105, (2025)
  • C. Dösinger, T. Hammerschmidt, O. Peil et al. Descriptors based on the density of states for efficient machine learning of grain-boundary segregation energies. Computational Materials Science, 247, 113493, (2025)
  • S. Starikov. Dislocation mobility function as a key to understanding plasticity of refractory metals and alloys. Computational Materials Science, 246, 113411, (2025)
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