Better without U: Impact of Selective Hubbard U Correction on Foundational MLIPs

Documenti analoghi

• Equivariant Matrix Function Neural Networks
  di: Batatia, Ilyes, et al.
  Pubblicazione: (2023)
• CrystalREPA: Transferring Physical Priors from Universal MLIPs to Crystal Generative Models
  di: Zhang, Chengqian, et al.
  Pubblicazione: (2026)
• Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks
  di: Thiemann, Fabian L., et al.
  Pubblicazione: (2025)
• Machine learning Hubbard parameters with equivariant neural networks
  di: Uhrin, Martin, et al.
  Pubblicazione: (2024)
• A recipe for scalable attention-based MLIPs: unlocking long-range accuracy with all-to-all node attention
  di: Qu, Eric, et al.
  Pubblicazione: (2026)