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cond-mat.mtrl-sci2025
Mechanistic study of mixed lithium halides solid state electrolytes
Davide Tisi, Sergey Pozdnyakov, Michele Ceriotti
Lithium halides with the general formula LiMX, where M indicates metal ions and X halide anions are very actively studied as solid-state electrolytes, because of relati…
cond-mat.mtrl-sci2025★ 10 cited
PET-MAD, a lightweight universal interatomic potential for advanced materials modeling
Arslan Mazitov, Filippo Bigi, Matthias Kellner +6
Machine-learning interatomic potentials (MLIPs) have greatly extended the reach of atomic-scale simulations, offering the accuracy of first-principles calculations at a fraction of…