Ngā tūemi rite

• Score-based diffusion models for accurate crystal-structure inpainting and reconstruction of hydrogen positions
  mā: Reents, Timo, me ētahi atu.
  I whakaputaina: (2026)
• Accurate and efficient protocols for high-throughput first-principles materials simulations
  mā: Nascimento, Gabriel de Miranda, me ētahi atu.
  I whakaputaina: (2025)
• Massive Atomic Diversity: a compact universal dataset for atomistic machine learning
  mā: Mazitov, Arslan, me ētahi atu.
  I whakaputaina: (2025)
• Automated optimization of convergence parameters in plane wave density functional theory calculations via a tensor decomposition-based uncertainty quantification
  mā: Janssen, Jan, me ētahi atu.
  I whakaputaina: (2021)
• First-principles Hubbard parameters with automated and reproducible workflows
  mā: Bastonero, Lorenzo, me ētahi atu.
  I whakaputaina: (2025)