Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials

Documenti analoghi

• Transferable Learning of Reaction Pathways from Geometric Priors
  di: Nam, Juno, et al.
  Pubblicazione: (2025)
• Comparing the latent features of universal machine-learning interatomic potentials
  di: Chorna, Sofiia, et al.
  Pubblicazione: (2025)
• How accurate are foundational machine learning interatomic potentials for heterogeneous catalysis?
  di: Kempen, Luuk H. E., et al.
  Pubblicazione: (2025)
• Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks
  di: Peng, Jiayu, et al.
  Pubblicazione: (2024)
• Long-range electrostatics for machine learning interatomic potentials is easier than we thought
  di: Kim, Dongjin, et al.
  Pubblicazione: (2025)