Efficient first-principles modeling of complex molecular crystals at sub-chemical accuracy

Documenti analoghi

• How accurate are simulations and experiments for the lattice energies of molecular crystals?
  di: Della Pia, Flaviano, et al.
  Pubblicazione: (2024)
• Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
  di: Kaur, Harveen, et al.
  Pubblicazione: (2024)
• Accurate and efficient machine learning interatomic potentials for finite temperature modeling of molecular crystals
  di: Della Pia, Flaviano, et al.
  Pubblicazione: (2025)
• Systematic discrepancies between reference methods for non-covalent interactions within the S66 dataset
  di: Shi, Benjamin X., et al.
  Pubblicazione: (2024)
• An accurate and efficient framework for modelling the surface chemistry of ionic materials
  di: Shi, Benjamin X., et al.
  Pubblicazione: (2024)