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Solvent-mediated interactions between nanostructures: From water to Lennard-Jones liquid.

Julien LamJames F Lutsko
Published in: The Journal of chemical physics (2018)
Solvent-mediated interactions emerge from complex mechanisms that depend on the solute structure, its wetting properties, and the nature of the liquid. While numerous studies have focused on the first two influences, here, we compare the results from water and Lennard-Jones liquid in order to reveal to what extent solvent-mediated interactions are universal with respect to the nature of the liquid. Besides the influence of the liquid, the results were obtained with classical density functional theory and brute-force molecular dynamics simulations which allow us to contrast these two numerical techniques.
Keyphrases
  • ionic liquid
  • molecular dynamics simulations
  • density functional theory
  • magnetic resonance
  • magnetic resonance imaging
  • gene expression
  • molecular docking
  • computed tomography
  • genome wide
  • dna methylation