Active learning and explicit electrostatics enable accurate modeling of electrolytes

Documenti analoghi

• Moment Tensor Potential and Equivariant Tensor Network Potential with explicit dispersion interactions
  di: Chalykh, Olga, et al.
  Pubblicazione: (2025)
• Incorporating Coulomb interactions with fixed charges in Moment Tensor Potentials and Equivariant Tensor Network Potentials
  di: Korogod, Dmitry, et al.
  Pubblicazione: (2025)
• Towards superior van der Waals density functionals for molecular crystals
  di: Fedorov, Dmitry V., et al.
  Pubblicazione: (2025)
• Long-range machine-learning potentials with environment-dependent charges enable predicting LO-TO splitting and dielectric constants
  di: Korogod, Dmitry, et al.
  Pubblicazione: (2026)
• Accelerating global search of adsorbate molecule position using machine-learning interatomic potentials with active learning
  di: Klimanova, Olga, et al.
  Pubblicazione: (2024)