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Mold: a LAMMPS package to compute interfacial free energies and nucleation rates.

Andres R. TejedorIgnacio Sanchez-BurgosEduardo SanzCarlos VegaFelipe J. BlasRuslan L. DavidchackNicodemo Di PasqualeJorge RamirezJorge R. Espinosa
Published in: J. Open Source Softw. (2024)
Keyphrases
  • higher order
  • energy function
  • markov random field
  • graph cuts
  • database
  • software package
  • search engine
  • decision making
  • data structure
  • lower bound
  • cost function
  • energy minimization