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Development of dissociative force field for all-atomistic molecular dynamics calculation of fracture of polymers.

Kazushi FujimotoRajadeep Singh PayalTomonori HattoriWataru ShinodaMasayuki NakagakiShigeyoshi SakakiSusumu Okazaki
Published in: J. Comput. Chem. (2019)
Keyphrases
  • molecular dynamics
  • force field
  • scientific data
  • gradient vector flow
  • molecular dynamics simulations
  • active contours
  • active contour model