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1. Interactive Modeling of Materials with Density Functional Theory Using the Quantum ESPRESSO Interface within the MIT Atomic Scale Modeling Toolkit

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

   We will explore the Quantum ESPRESSO interface within the MIT Atomic-Scale Modeling Toolkit with interactive examples. We will review the basics of density functional theory and then focus on the tool’s capabilities.

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

   Teaching Materials | 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. Nanodiamond Raman Analysis Tool

   Tools | 03 Jun 2022 | Contributor(s):: Adrian Manjarrez, Aagam Rajeev Shah, Darren K Adams, Elif Ertekin, Lili Cai

   Analyze the Raman spectra of diamond nanoparticles and films.