Accurate Screening of Functional Materials with Machine-Learning Potential and Transfer-Learned Regressions: Heusler Alloy Benchmark

Ähnliche Einträge

• High-throughput computational screening of Heusler compounds with phonon considerations for enhanced material discovery
  von: Xiao, Enda, et al.
  Veröffentlicht: (2025)
• Chemical-substitution-driven giant anomalous Hall and Nernst effects in magnetic cubic Heusler compounds
  von: Xing, Guangzong, et al.
  Veröffentlicht: (2023)
• Continuous crossover between insulating ferroelectrics and the polar metals: \textit{Ab initio} calculation of structural phase transitions of Li$B$O$_3$ ($B$ = Ta, W, Re, Os)
  von: Masuki, Ryota, et al.
  Veröffentlicht: (2024)
• Anharmonic phonon renormalization and thermal transport in the type-I Ba$_{\rm 8}$Ga$_{\rm 16}$Sn$_{\rm 30}$ clathrate from first principles
  von: Ohnishi, Masato, et al.
  Veröffentlicht: (2021)
• Electron-phonon coupled Langevin dynamics for Mott insulators
  von: Pohle, Rico, et al.
  Veröffentlicht: (2025)