Custom-built Thin Films – A Molecular Dynamics Perspective

The workshop will introduce participants to multi-scale modeling, with the focus on molecular dynamics as a tool for custom-building materials for several applications including electronics, drug delivery and industrial processes. Steps necessary to develop representations of physical systems will be outlined and implemented within the LAMMPS software application for a simple example during the workshop. Students will learn how to analyze output and visualize results for the above demo. Using the demo as a framework, a more complex, industrially relevant example will be discussed to further demonstrate the breadth of capabilities of the molecular dynamics technique. The workshop will wrap up with a brief discussion on the recommended type of graduate training for a career in engineering custom-built materials using multi-scale modeling.