FLAME – A Fully Loaded Atomistic Modeling Environment

Coming soon!

FLAME is a highly modular open source software package to perform atomistic simulations using a wide variety of techniques. A selection of its features is listed below:

  • Molecular dynamics with various constraints and boundary conditions
  • Structure prediction for molecules, crystals, interfaces, and more
  • Double and single ended saddle-point searches
  • Training and application of neural network potentials
  • Includes a variaty of interatomic potentials
  • Interfaced with various external DFT and MM codes, including QuantumEspresso, Abinit, BigDFT, Lammps, Tinker, Gulp, etc.