In this presentation, Dr. Strubbe will discuss how he has been using the MIT Atomic-Scale Modeling Toolkit as a part of his undergraduate and graduate class on condensed matter physics. In discussion sections, simulations are performed to illustrate concepts like covalent bonding, bandstructure, phonons, and magnetic phase transitions. The course culminated in a Course-based Undergraduate Research Experience, a final project in which the students calculated structural, electronic and vibrational properties of a 2D material alloy. Dr. Strubbe will show how he used the simulation tools to help students understand condensed matter physics and ultimately make their own contribution to research.

Dr. Enrique Guerrero will give a seminar on Oct 26 focusing in more detail on the Quantum ESPRESSO module within this toolkit, which was developed with new functionality to enable this project.

This presentation is part 1, part 2 by Dr. Guerrero can be viewed here: Interactive Modeling of Materials with Density Functional Theory Using the Quantum ESPRESSO Interface within the MIT Atomic Scale Modeling Toolkit, and part 3 can be viewed here: Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications.

David Strubbe is an assistant professor of physics at the University of California, Merced, and has been using and developing in nanoHUB since 2008. He received a BS in chemistry and physics from the University of Chicago in 2005 and a PhD in physics with designated emphasis in nanoscale science and engineering from UC Berkeley in 2012. He did postdoctoral research in the MIT Department of Materials Science and Engineering, and in 2016 joined the faculty at UC Merced, where he is also affiliated with the chemistry and materials science programs. He has received the NSF CAREER award and the Cottrell Scholar Award from the Research Corporation for Science Advancement, and is currently working on co-organizing the Electronic Structure Workshop and Conferences for Undergraduate Women in Physics (CUWiP).

Network for Computational Nanotechnology (NCN)

Researchers should cite this work as follows:

• David Strubbe (2022), "A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit," https://nanohub.org/resources/36632.

  BibTex | EndNote

1. 2D materials and devices
2. alloys
3. atomistic modeling and simulation
4. band structure
5. computational materials science
6. computational science/engineering
7. condensed matter physics
8. education
9. magnets/magnetics
10. MIT Atomic-Scale Modeling Toolkit
11. phonons
12. teaching and learning