Absolute standard hydrogen electrode potential and redox potentials of atoms and molecules: machine learning aided first principles calculations

Documenti analoghi

• Machine Learning-Aided First-Principles Calculations of Redox Potentials
  di: Jinnouchi, Ryosuke, et al.
  Pubblicazione: (2023)
• Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation
  di: Vijay, Sudarshan, et al.
  Pubblicazione: (2025)
• Machine learning surrogate models for particle insertions and element substitutions
  di: Jinnouchi, Ryosuke
  Pubblicazione: (2024)
• Machine learning potentials for redox chemistry in solution
  di: Kocer, Emir, et al.
  Pubblicazione: (2024)
• Monomeric machine learning potential for general covalent molecules: linear alkanes as an example
  di: Li, Xinze, et al.
  Pubblicazione: (2026)