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Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications
23 Dec 2022 | | Contributor(s):: Enrique Guerrero
We will perform molecular dynamics computations using LAMMPS, simple Monte Carlo simulations including the Ising model, and run quantum chemistry and density functional theory computations.
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Interactive Modeling of Materials with Density Functional Theory Using the Quantum ESPRESSO Interface within the MIT Atomic Scale Modeling Toolkit
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.
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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...
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CHEM 870 Lecture 10: Infrared and Raman Spectrocopy
04 Sep 2022 | | Contributor(s):: Nicole Adelstein
This lecture begins with a review of DFT covered in an earlier lecture
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Nanodiamond Raman Analysis Tool
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.
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Gr-ResQ Tutorial II: Tool Demonstration and Training
04 Jun 2021 | | Contributor(s):: Mitisha Surana
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Gr-ResQ Tutorial I: Introduction and Framework
03 Jun 2021 | | Contributor(s):: Mitisha Surana
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Gr-ResQ (Graphene Rescue) Tool Tutorial & Training
03 Jun 2021 | | Contributor(s):: Mitisha Surana
This hands-on tutorial will introduce users to the Gr-ResQ (‘graphene rescue’) platform. Gr-ResQ is (i) an open, crowd-sourced database of recipes and characterization of graphene synthesized by chemical vapor deposition, (ii) a set of analysis tools that enable users to analyze the...
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Gr-ResQ Tutorial III: Machine Learning and Beyound
03 Jun 2021 | | Contributor(s):: Mitisha Surana
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Gr-ResQ
27 Aug 2019 | | Contributor(s):: Joshua A Schiller, Kaihao Zhang, Kevin James Cruse, Darren K Adams, Elif Ertekin, Sameh H Tawfick, Mitisha Surana, Aagam Rajeev Shah, Ricardo Toro
Query submit and analyse graphene sythesis data.
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Research in Xu’s Group
07 Aug 2019 | | Contributor(s):: Xianfan Xu
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The Use of Probes, Beams, and Waves for Characterization at the Nano-Scale
20 Jul 2018 | | Contributor(s):: Stephen J. Fonash, NACK Network
OutlineThe tools for characterizing materials and structures at the nano-scaleProbesPhoton beamsElectron beamsIon beamsAcoustic waves
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Graphene Raman Fitting Tool
29 May 2018 | | Contributor(s):: Matthew Glen Robertson, Aagam Rajeev Shah, Darren K Adams, Elif Ertekin
Analyze Raman spectra from graphene
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In-Situ Examination of Thermal Runaway in Lithium-ion Batteries under Dynamic Loading and at High Temperatures using Nanomechanical Raman Spectroscopy
22 Mar 2018 | | Contributor(s):: Vikas Tomar
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Fundamentals of Phonon Transport Modeling L6: Phonon-Electron Coupling and Non-equilibrium
04 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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[Illinois] Using Photonic Crystals to Enhance SERS Signals for Early Detection of Prostate Cancer
29 Jan 2016 | | Contributor(s):: Caitlin Race
Prostate cancer is the second most common cancer for men, and the second leading cause of death due to cancer in men. Currently, the most common screening method aims to detect high levels of prostate-specific antigen (PSA) in blood. Our research has shown the potential for both better prostate...
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2010 Nano-Biophotonics Summer School @ UIUC Lecture 13 - An Introducton to Raman and Infrared Spectroscopy
04 Jan 2011 | | Contributor(s):: Rohit Bhargava