List of well-known codes

Chemistry/solid-state-physics/atomistic simulations

  • Amber
  • CP2K
  • FHI-aims
  • Gromacs
  • LAMMPS
  • Molpro
  • NAMD
  • ORCA
  • Quantum Espresso
  • Turbomole
  • VASP

Engineering

  • ANSYS CFX/Fluent
  • OpenFOAM
  • StarCCM+

Machine Learning

  • Jax
  • PyTorch
  • Tensorflow/Keras