I help develop a number of software tools meant to enable accurate atomistic simulations.
Tinker -- https://github.com/TinkerTools
LAMMPS -- https://www.lammps.org
e3nn -- https://github.com/e3nn/e3nn
Tinker -- https://github.com/TinkerTools
LAMMPS -- https://www.lammps.org
e3nn -- https://github.com/e3nn/e3nn