A Condensed Matter Physics class with the MIT Atomic-Scale Modeling Toolkit

2022.10.12 David A. Strubbe, University of California, Merced

To run the MIT Atomic-Scale Modeling Toolkit see: https://nanohub.org/tools/ucb_compnano

This video is part of the Back to School Webinar Series on Teaching found at https://nanohub.org/groups/chem/live_...
Table of contents available below.

Title: A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit

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. See    • Interactive Modeling of Materials wit...  

Table of Contents:
00:00 A condensed matter physics class and a Course-based Undergraduate Research Experience (CURE)
01:23 UCMERCED
02:30 Research in the Strubbe Ab Initio Laboratory (SAIL)
03:45 The MIT Atomic-Scale Modeling Toolkit
06:41 PHYS 141, PHYS 241, MBSE 245: Condensed Matter Physics
08:15 Condensed Matter Physics Discussion Exercises
09:58 Course Undergraduate Research Experience (CURE)
13:42 The rise of 2D materials
15:18 Raman Spectrum of Pristine MoS2
15:46 CURE on Raman spectra of MoS2Se2(1-x) monolayer alloys
19:48 Final project structures
20:47 CURE on Raman spectra of MoS2Se2(1-x) monolayer alloys
22:16 Online resources
22:25 Acknowledgments regarding CURE
28:25 MIT Atomic Scale Modeling Toolkit demo

This resource and related downloads can be found at: https://nanohub.org/resources/36632