This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • README.txt: README file
  • flare.zip: Python code of this method, including building spline interpolations and Bayesian active learning
  • data.zip: The extracted training and testing data of stanene
  • Atoms3k_Temp200K.zip: Large-scale molecular dynamics simulation of monolayer-bulk transition process of stanene, including MGP pair style coefficient file, LAMMPS input, data, log and trajectory files
  • Atoms10k_Temp500K.zip: Large-scale molecular dynamics simulation of melting process of stanene, including MGP pair style coefficient file, LAMMPS input, data, log and trajectory files
  • LMP.zip: LAMMPS source code of MGP pair style, also including an executable