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

  • README.txt: README
  • flare.zip: Python code of this method, including building spline interpolations and Bayesian active learning
  • LMP.zip: LAMMPS source code of MGP pair style
  • Data.zip: Training and testing data of stanene and bulk tin systems
  • Models.zip: GP models and MGP coefficient files of LAMMPS for stanene and bulk systems
  • MD.zip: LAMMPS molecular dynamics of stanene phase transition and ab-initio molecular dynamics of liquid tin