P. Srinivasan, D. Demuriya, B. Grabowski, und A. Shapeev. Dataset, (2024)Related to: Srinivasan, P., Demuriya, D., Grabowski, B. et al. Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom. npj Comput Mater 10, 41 (2024). doi: 10.1038/s41524-024-01222-9.
J. Jung, A. Forslund, P. Srinivasan, und B. Grabowski. Dataset, (2023)Related to: J. H. Jung, A. Forslund, P. Srinivasan, and B. Grabowski, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). doi: 10.1103/PhysRevB.108.184107.
X. Xu. Dataset, (2023)Related to: Xu, Xiang, Xi Zhang, Andrei Ruban, Siegfried Schmauder, and Blazej Grabowski. "Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al." Acta Materialia 255 (2023): 118986. doi: 10.1016/j.actamat.2023.118986.
A. Forslund, J. Jung, P. Srinivasan, und B. Grabowski. Dataset, (2023)Related to: A. Forslund, J. H. Jung, P. Srinivasan, and B. Grabowski, Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). doi: 10.1103/PhysRevB.107.174309.
J. Jung, P. Srinivasan, A. Forslund, und B. Grabowski. Dataset, (2023)Related to: J. H. Jung, P. Srinivasan, A. Forslund, and B. Grabowski, "High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials", npj Comput. Mater. 9, 3 (2023). doi: 10.1038/s41524-022-00956-8.