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DFT with SIESTA, Data Visualization, and a Sophomore-level CURE with the MIT Atomic-Scale Modeling Toolkit
Online Presentations | 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...
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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...
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A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit
Online Presentations | 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,...
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Sampath Kumar Vemulavada
https://nanohub.org/members/358502
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Josephson Detection of Multiband Effects in Superconductors
Online Presentations | 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.
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James Williams
James Williams received his B.S. in 2002 from Santa Clara University and his Ph.D. in 2009 from Harvard University. His area of research is experimental condensed matter physics. Specifically, he...
https://nanohub.org/members/298291
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Ian B. Spielman
Ian B. Spielman received his Ph.D. degree in physics from the California Institute of Technology in 2004 for studying quantum Hall bilayers. As a postdoc he spent two years at NIST, Gaithersburg...
https://nanohub.org/members/298288
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RIJU PAL
I am a PhD student.
https://nanohub.org/members/286874
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Sergey Dizhur
https://nanohub.org/members/181872
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_lat
https://nanohub.org/members/179185
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Vladimir Fel'k
https://nanohub.org/members/142931
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Roshan Shrestha
https://nanohub.org/members/136583
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Towfiq Ahmed
https://nanohub.org/members/104373
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Darek Kajtoch
https://nanohub.org/members/93408
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Zhou Zhiguang
https://nanohub.org/members/85617
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Paulo André Dias Gonçalves
https://nanohub.org/members/82611
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Soumyendu Roy
https://nanohub.org/members/65912
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Large-scale first principles configuration interaction calculations of optical absorption in boron clusters
Papers | 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)...
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Louis Bouchard
Dr. Bouchard obtained a bachelor's degree in physics and business management from McGill University in Montréal, Canada, a Master's degree in medical biophysics from the University of Toronto and a...
https://nanohub.org/members/64697
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Elvis Flaviano Arguelles
https://nanohub.org/members/61299