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Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications
Online Presentations | 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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Bryson Hedrick
https://nanohub.org/members/385959
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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.
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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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CHEM 870 Lecture 10: Infrared and Raman Spectrocopy
Online Presentations | 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
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.
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Bishwajite Karmakar
https://nanohub.org/members/336196
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Gr-ResQ Tutorial II: Tool Demonstration and Training
Online Presentations | 04 Jun 2021 | Contributor(s):: Mitisha Surana
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Gr-ResQ (Graphene Rescue) Tool Tutorial & Training
Courses | 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 I: Introduction and Framework
Online Presentations | 03 Jun 2021 | Contributor(s):: Mitisha Surana
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Gr-ResQ Tutorial III: Machine Learning and Beyound
Online Presentations | 03 Jun 2021 | Contributor(s):: Mitisha Surana
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Gr-ResQ
Tools | 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
Online Presentations | 07 Aug 2019 | Contributor(s):: Xianfan Xu
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Ranit Roy
https://nanohub.org/members/217984
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Arpit Jaiswal
I am a grad student at University at Buffalo. I did my undergrad studies from RTMNU India. I am currently working on Graphene plasmonics.
https://nanohub.org/members/208950
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The Use of Probes, Beams, and Waves for Characterization at the Nano-Scale
Online Presentations | 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
Tools | 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
Online Presentations | 22 Mar 2018 | Contributor(s):: Vikas Tomar
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Mircea Chipara
https://nanohub.org/members/169980
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Fundamentals of Phonon Transport Modeling L6: Phonon-Electron Coupling and Non-equilibrium
Presentation Materials | 04 Jan 2017 | Contributor(s):: Xiulin Ruan, Alan McGaughey
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.