Some useful resources:
#. Basics of developing a coupled atomistic-continuum model:
#. Characterization and quantification of deformation mechanisms from atomic-scale simulations:
#. Basics of time accelerated Molecular Dynamics or Hyperdynamics:
#. Step by step guide to derive the local elasto-plastic tangent stiffness matrix for crystal-plasticity material model:
#. Adding a custom ‘compute’ or ‘fix’ class in the LAMMPS code: