Temperature-Dependent Anharmonic Phonons in Quantum Paraelectric KTaO₃ by First Principles and Machine-Learned Force Fields

Luigi Ranalli, Carla Verdi, Lorenzo Monacelli, Georg Kresse, Matteo Calandra, Cesare Franchini (Corresponding author)

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

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TACO: Taming Complexity in Materials Modeling
Diebold, U., Kresse, G., Mezger-Backus, E. H. G., Dellago, C. & Franchini, C.
1/03/21 → 28/02/25
Project: Research funding
Ab-initio calculations for anharmonic polarons in hydrides
Franchini, C.
1/10/20 → 31/01/25
Project: Research funding