Surrogate Functionals for Machine-Learned Orbital-Free Density Functional Theory

Documenti analoghi

• Stable and Accurate Orbital-Free DFT Powered by Machine Learning
  di: Remme, Roman, et al.
  Pubblicazione: (2025)
• Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning
  di: Zhang, He, et al.
  Pubblicazione: (2023)
• Orbital Transformers for Predicting Wavefunctions in Time-Dependent Density Functional Theory
  di: Zhang, Xuan, et al.
  Pubblicazione: (2026)
• Leveraging Normalizing Flows for Orbital-Free Density Functional Theory
  di: de Camargo, Alexandre, et al.
  Pubblicazione: (2024)
• Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
  di: Zhang, He, et al.
  Pubblicazione: (2024)