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:


All posts in one place: