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Materials Informatics Lecture 11: Crystal Structure Graphs
Online Presentations | 13 Aug 2024 | Contributor(s):: Taylor Sparks
Graphs are a powerful way to represent materials. Atoms as nodes, bonds as edges and much more! This video discusses the basic premise of how to represent a crystal structure as a graph, why sparse connections could offer additional, unique information, and how we could encode information into...
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Materials Informatics Lecture 10: Structure-Based Feature Vector
Online Presentations | 12 Aug 2024 | Contributor(s):: Taylor Sparks
Chemistry alone isn't enough to help ML models make predictions. Instead, we need to featurize the structure of a material. What aspects would make good structural features? How do we featurize them?This video covers some relevant structural features from the atomic through the crystal...
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are there wrong slides attached?
Q&A|Closed | Responses: 5
It seems like in lectures 3.2 and 3.3, the presentation slides from lecture 4.3 are attached.
Is it possible to post the correct slides?
https://nanohub.org/answers/question/2738
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ABACUS Tool Suite Overview and Crystal Structures (Fall 2023)
Online Presentations | 15 Aug 2023 | Contributor(s):: Gerhard Klimeck
In the first recitation session, Dr. Klimeck will briefly discuss a new initiative, Chipshub.org, then move into an overview of ABACUS and demonstrate the Crystal Viewer Tool. This tool allows students to start with the visualization of a standard silicon text book unit cell, then expand the...
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ECE 606 L3.1: Crystals - Crystal Definitions
Online Presentations | 20 Jul 2023 | Contributor(s):: Gerhard Klimeck
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ECE 606 L3.2: Crystals - Tables of Bravais Lattice
Online Presentations | 20 Jul 2023 | Contributor(s):: Gerhard Klimeck
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ECE 606 L3.3: Crystals - Density of Definitions and Applications to Common Material
Online Presentations | 20 Jul 2023 | Contributor(s):: Gerhard Klimeck
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ECE 606 L3.4 Crystals - Surfaces, Miller Index
Online Presentations | 20 Jul 2023 | Contributor(s):: Gerhard Klimeck
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ECE 606 L10.1 Bandstructure - E(k) Diagrams in Specific Crystal Directions
Online Presentations | 20 Jul 2023 | Contributor(s):: Gerhard Klimeck
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Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler
Online Presentations | 14 Jul 2023 | Contributor(s):: Tongtong Shen
In this talk, I will showcase how atomic-level simulations can lead to a more fundamental understanding of PAN crystal structures and guide you through an interactive Polymer Modeler powered by nanoHUB.
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ABACUS Overview and Crystal Structures (Spring 2022)
Online Presentations | 04 May 2022 | Contributor(s):: Gerhard Klimeck
In the first session, Dr. Klimeck will briefly overview ABACUS and demonstrate the crystal viewer tool. With crystal viewer, students can start with the visualization of a standard Silicon textbook unit cell, then expand the view to a larger crystal and immerse themselves into the various...
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Apr 11 2022
nanoHUB Recitation Series for Semiconductor Education and Workforce Development: ABACUS Overview and Crystal Structures
Abstract: In the first session, Dr. Klimeck will briefly overview ABACUS and demonstrate the crystal viewer tool. With crystal viewer, students can start with the visualization of a standard...
https://nanohub.org/events/details/2169
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ABACUS Overview and Crystal Structures (Winter 2021)
Online Presentations | 08 Dec 2021 | Contributor(s):: Gerhard Klimeck
In the first session, Dr. Klimeck will briefly overview ABACUS and demonstrate the crystal viewer tool. With crystal viewer, students can start with the visualization of a standard Silicon textbook unit cell, then expand the view to a larger crystal and immerse themselves into the various...
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Dec 01 2021
nanoHUB Online Recitation Series for Semiconductor Education: ABACUS Overview and Crystal Structures
Series Information: Recent economic needs have re-kindled national and global interest in semiconductor devices and created an urgent need for more semiconductor device engineers and...
https://nanohub.org/events/details/2112
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Constructing Accurate Quantitative Structure-Property Relationships via Materials Graph Networks
Online Presentations | 09 Mar 2021 | Contributor(s):: Chi Chen
This tutorial covers materials graph networks for modeling crystal and molecular properties. We will introduce the graph representation of crystals and molecules and how the convolutional operations are carried out on the materials graphs.
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Materials Graph Network
Tools | 27 Jan 2021 | Contributor(s):: Chi Chen, Yunxing Zuo
Materials Graph Networks for molecule and crystal structure-property relationship modeling
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"Turning Fruit Juice into Graphene Quantum Dots" Supplementary Lesson Plans: Going Atomic
Series | 15 Nov 2020 | Contributor(s):: Rachel Altovar, Susan P Gentry
Expanding on the pre-existing resource on nanoHUB: “Turning Fruit Juice into Graphene Quantum Dots” this resource expands on the concepts in the experimental guide to give a comprehensive overview of materials pertaining to concepts and ideas within the...
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MODULE 3 - Structures: "Turning Fruit Juice into Graphene Quantum Dots" Supplementary Lesson Plans: Going Atomic
Teaching Materials | 15 Nov 2020 | Contributor(s):: Rachel Altovar, Susan P Gentry
In MODULE 3- Structures in the "Turning Fruit Juice into Graphene Quantum Dots" Supplementary Lesson Plans, crystal structures and systems are investigated. This module relates back to graphene and how its structure relates back to its unique properties in comparison to other forms of...
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How to create two element input file for Aluminum (Al) and Silicon carbide (SiC).
Q&A|Closed | Responses: 1
The tool is very useful for the generation of input script for the LAMMPS file. The tool uses the atomic masses of the individual crystal to generate the input structure.
How we...
https://nanohub.org/answers/question/2344
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Memory Metals
Teaching Materials | 29 Jun 2020 | Contributor(s):: Nano-Link Center for Nanotechnology Education, Matthew Shultz, Deb Newberry, James J Marti
This module explores the properties of shape memory alloys, commonly called “memory metals”. These alloys, when made into wires or thin structures, exhibit the shape memory effect: if bent or deformed, the metal will revert to its original shape upon heating. This module...