Resources (1-5 of 5)

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

   07 Nov 2022 | | Contributor(s):: David Strubbe

   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,...

2. A Guide to the MIT Atomic Scale Modeling Toolkit for nanoHUB.org

   22 Nov 2022 | | Contributor(s):: Enrique Guerrero

   This document is a guide to the Quantum ESPRESSO application within the >MIT Atomic Scale Modeling Toolkit The guide was designed to be presented as part II of the nanoHUB seminar “A condensed matter physics class and a Course-based Undergraduate Research Experience (CURE) with the MIT...

3. DFT with SIESTA, Data Visualization, and a Sophomore-level CURE with the MIT Atomic-Scale Modeling Toolkit

   09 Apr 2024 | | Contributor(s):: David A Strubbe

   This presentation will focus on use of the density-functional theory (DFT) code SIESTA and visualization code XCrySDen, for calculations of structure, density, and wavefunctions, and visualization of these quantities as well as of Brillouin zones and Fermi surfaces. He uses the toolkit for a...

4. Josephson Detection of Multiband Effects in Superconductors

   07 Sep 2020 | | Contributor(s):: James Williams

   In this talk focus be given to the modification of conventional Josephson effects due to the loss of time reversal symmetry found to exist in proximity-induced Josephson junction of SnTe nanowires.

5. Large-scale first principles configuration interaction calculations of optical absorption in boron clusters

   07 Mar 2012 | | Contributor(s):: Ravindra L Shinde

   We have performed systematic large-scale all-electron correlated calculations on boron clustersBn (n=2–5), to study their linear optical absorption spectra. Several possible isomers of each clus-ter were considered, and their geometries were optimized at the coupled-cluster singles doubles(CCSD)...