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Self-Assembled Two-Dimensional Nanoporous Crystals as Molecular Sieves: Molecular Dynamics Studies of 1, 3, 5-Tristyrilbenzene-Cn Superstructures.

Alexander St. JohnMichael W. RothLucyna FirlejBogdan KuchtaFabrice CharraCarlos Wexler
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • protein folding
  • scientific data
  • three dimensional
  • fluid flow
  • scale space
  • response time