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Comment on "Calculation of Solid-Fluid Interfacial Free Energy with Consideration of Solid Deformation by Molecular Dynamics".

Arjun Valiya ParambathuThiago J Pinheiro Dos SantosWalter G ChapmanDilipkumar N Asthagiri
Published in: The journal of physical chemistry. A (2022)
Keyphrases
  • molecular dynamics
  • density functional theory
  • molecular dynamics simulations
  • ionic liquid
  • electron transfer
  • monte carlo