nanoHUB-U From Atoms to Materials

Published on

Abstract

Explore this five-unit course and discover a unified framework for understanding the essential physics that govern materials at atomic scales. You’ll then be able to relate these processes to the macroscopic world.

The course starts with an introduction to quantum mechanics and its application to understand the electronic structure of atoms and the nature of the chemical bond. After a brief description of the electronic and atomic structures of molecules and crystals, the course discusses atomic motion in terms of normal modes and phonons, as well as using molecular dynamics simulations.

Finally, principles of statistical mechanics are introduced and used to relate the atomic world to macroscopic properties.

Throughout the course, students will use online simulations in nanoHUB to apply the concepts learned to interesting materials and properties; these simulations will involve density functional theory and molecular dynamics.

What you'll learn

  • Principles of classical and quantum mechanics and their application to describe materials at atomic scales
  • Statistical mechanics to connect the atomistic and macroscopic worlds
  • How to use density functional theory and molecular dynamics to predict materials properties and processes

Available on edX

Cite this work

Researchers should cite this work as follows:

  • (2017), "nanoHUB-U From Atoms to Materials," http://nanohub.org/resources/26966.

    BibTex | EndNote