Y. Ikeda, A. Forslund, P. Kumar, Y. Ou, J. Jung, A. Köhn, and B. Grabowski. Dataset, (2026)Related to: Yuji Ikeda, Axel Forslund, Pranav Kumar, Yongliang Ou, Jong Hyun Jung, Andreas Köhn, and Blazej Grabowski, Machine-Learning Interatomic Potentials Achieving CCSD(T) Accuracy for Systems with Extended Covalent Networks and van der Waals Interactions, J. Chem. Theory Comput. (2026). doi: 10.1021/acs.jctc.5c02045.
P. Kumar, F. Körmann, K. Edalati, B. Grabowski, and Y. Ikeda. Dataset, (2026)Related to: P. Kumar, F. Körmann, K. Edalati, B. Grabowski, Y. Ikeda, Hydrogen diffusion in TiCr2Hx Laves phases: A combined ab initio and machine-learning-potential study,Acta Materialia (2026) 122048. doi: 10.1016/j.actamat.2026.122048.
A. Forslund, J. Jung, Y. Ikeda, and B. Grabowski. Dataset, (2025)Related to: A. Forslund, J. H. Jung, Y. Ikeda, and B. Grabowski, Free-energy perturbation in the exchange-correlation space accelerated by machine learning: Application to silica polymorphs, npj Comput. Mater. (2025). doi: 10.1038/s41524-025-01874-1.
X. Zhang, X. Xu, F. Körmann, S. Divinski, and B. Grabowski. Dataset, (2025)Related to: J. Zhang et al., "Lattice distortions and non-sluggish diffusion in BCC refractory high entropy alloys", Acta Materialia 297 (2025), 121283. doi: 10.1016/j.actamat.2025.121283.
L. Scholz, Y. Ou, B. Grabowski, and F. Fritzen. Dataset, (2025)Related to: L. Scholz, Y. Ou, B. Grabowski and F. Fritzen. A collapsed interface approach to resolve grain boundaries in finite element simulations of polycrystalline diffusion, Computational Materials Science 260 (2025), 114172. doi: 10.1016/j.commatsci.2025.114172.
P. Kumar, F. Körmann, B. Grabowski, and Y. Ikeda. Dataset, (2025)Related to: P. Kumar, F. Körmann, B. Grabowski, Y. Ikeda, Machine learning potentials for hydrogen absorption in TiCr2 Laves phases, Acta Materialia (2025) 121319. doi: 10.1016/j.actamat.2025.121319.
Y. Ikeda, and F. Körmann. Dataset, (2025)Related to: Y. Ikeda and F. Körmann, Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study, J. Phase Equilib. Diff. 42, 551 (2021). doi: 10.1007/s11669-021-00877-x.
