Support Options

Submit a Support Ticket


Lectures on Molecular Dynamics Modeling of Materials

By Alejandro Strachan

Purdue University

Lecture Number/Topic Online Lecture Video Lecture Notes Supplemental Material Suggested Exercises
Introduction: molecular dynamics simulations View Flash View Notes
This short presentation will describe the idea behind MD simulations and demonstrate its use in real applications.

Lecture 1: the theory behind molecular dynamics View Flash View Notes
The first lecture will provide a brief description of classical mechanics and statistical mechanics necessary to understand the physics and approximations behind MD and how to correctly...

Lecture 2: total energy and force calculations View Flash View Notes
This lecture will describe the various models used to describe the interactions between atoms in a wide range of materials including metals, ceramics and soft materials as well as new recent...

Lecture 3: simulation details and coarse grain approaches View Flash View Notes
The last presentation will describe simulation techniques to simulate materials under isothermal and isobaric conditions. We will also describe coarse grain or mesodynamical approaches..., a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.