MSE 560 Fundamentals of Atomistic Modeling

Welcome to the web page for University of Wisconsin's MSE560 Fundamentals of Atomistic Modeling.  This page contains information about the course, presentations and related data on final projects, and anything else that seems fun to post related to the course.

The course is taught every year or two by Professor Dane Morgan in the Department of Materials Science and Engineering.  The course introduces the basic theoretical and computational tools for atomistic modeling, with hands on homework and computational laboratories.  It is targeted for upper level undergraduate and graduates, with no prerequisites

Topics include

  • Modern massively parallel computation
  • Hamiltonians used to describe atoms
  • Molecular statics
  • Molecular dynamics
  • Monte Carlo
  • Ab initio quantum mechanical methods.
  • Background review of relevant classical mechanics, quantum mechanics, thermodynamics, and statistical mechanics

Final Projects

Final projects Fall 2014

Final projects Fall 2015

Final projects Spring 2017

Other links

Class flyer Fall 2014