Permeation of hydrogen across graphdiyne: molecular dynamics vs. quantum simulations and role of membrane motion

Ähnliche Einträge

• Enhanced quantum transport in bilayer two-dimensional materials
  von: Campos-Martínez, José, et al.
  Veröffentlicht: (2025)
• Overcoming the chemical complexity bottleneck in on-the-fly machine learned molecular dynamics simulations
  von: Timmerman, Lucas R., et al.
  Veröffentlicht: (2024)
• Structure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential
  von: Romano, Salvatore, et al.
  Veröffentlicht: (2024)
• Adsorption of molecular hydrogen on honeycomb ZnO monolayers: A quantum density-functional theory perspective
  von: Martinez-Mesa, Aliezer, et al.
  Veröffentlicht: (2024)
• Unsupervised learning of representative local atomic arrangements in molecular dynamics data
  von: Roncoroni, Fabrice, et al.
  Veröffentlicht: (2023)