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Introduction to DFT simulations in nanoHUB
Presentation Materials | 06 Oct 2022 | Contributor(s):: André Schleife
In this webinar, I will briefly outline the fundamentals of this technique, and demonstrate applications to compute total energies, bulk modulus, and electronic structure/densities of states using Nanohub.
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Oct 05 2022
Density Functional Theory: Introduction and Applications
Density Functional Theory: Introduction and ApplicationsDate and TimeOctober 5, 2022; 1:30 - 2:45 PM EDTPresenterAndré Schleife, Ph.D., Associate Professor at University of Illinois at...
https://nanohub.org/events/details/2232
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Introduction to a Basic Machine Learning Workflow for Predicting Materials Properties
Online Presentations | 04 Oct 2022 | Contributor(s):: Benjamin Afflerbach
This tutorial will introduce core concepts of machine learning through the lens of a basic workflow to predict material bandgaps from material compositions.
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Nano-Characterization and Nano-Fabrication using EB/IB Tools
Online Presentations | 29 Sep 2022 | Contributor(s):: Tomoko Borsa, NACK Network
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Summer Research at Princeton University
Online Presentations | 26 Sep 2022 | Contributor(s):: The Micro Nano Technology - Education Center
This presentation discusses some of the undergraduate summer research opportunities available.
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RAIN Network: Scanning Electron Microscope
Online Presentations | 26 Sep 2022 | Contributor(s):: Paul D. Asimow, The Micro Nano Technology - Education Center
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Sep 13 2022
MAST-ML and Machine Learning Lab Module Workshop
Join nanoHUB for a two-part set of back-to-back ML workshops. Part I is an introduction to Machine Learning for Materials Science that is appropriate for people with no prior experience...
https://nanohub.org/events/details/2229
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CHEM 870 Tutorial 6b: Binding Energy, DFT, and CO2 Capture II
Online Presentations | 04 Sep 2022 | Contributor(s):: Nicole Adelstein
The main goal of these activities is to calculate the binding energy of CO2 to linker molecules in metal organic frameworks (MOFs). CO2 is a greenhouse gas. One necessary component of combating climate change is removing CO2 from the atmosphere. We will use density functional theory (DFT)...
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Microstructure Modeling with OOF2 and OOF3D
Online Presentations | 26 Aug 2022 | Contributor(s):: Andrew Reid, Stephen Langer
The OOF object-oriented finite element software, developed at the National Institute of Standards and Technology, provides an interactive FEM tool which packages sophisticated mathematical capabilities with a user-interface that speaks the language of materials science...
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Why You Should Care About Crystals
Animations | 21 Aug 2022 | Contributor(s):: Aerielle Rodriguez, Rice University
Why are Crystals important for material engineering? This project tested different crystals with varying band gaps in order to demonstrate the relationship between observable optical properties and physical properties of crystals.
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Properties of Nanomaterials
Online Presentations | 30 Jul 2022 | Contributor(s):: Peter Kazarinoff, Mariel Kolker, NACK Network
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Ultrafast Spectroscopy of Nanomaterials
Online Presentations | 17 Jun 2022 | Contributor(s):: Aziz Boulesbaa, The Micro Nano Technology - Education Center
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Colorful and Smart Nanoscale Materials
Online Presentations | 17 Jun 2022 | Contributor(s):: Yadong Yin, The Micro Nano Technology - Education Center
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Integrating Microelectronics Contexts into Engineering Classrooms: Thermo-Calc Online Tool for the Design of Solder Materials
Online Presentations | 20 May 2022 | Contributor(s):: Congying Wang
This presentation will first present how industrial soldering practices can be contextualized into current engineering classrooms, especially in materials science, to provide students with situated learning experiences. Then we will demonstrate how Thermo-Calc can be utilized as an effective...
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May 11 2022
Integrating microelectronics contexts into engineering classrooms: Thermo-Calc online tool for the design of solder materials
Join us for a hands-on Thermo-Calc workshop! You will learn how industrial soldering practices can be contextualized into current engineering classrooms to provide students with situated...
https://nanohub.org/events/details/2177
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Message-Passing Neural Networks for Molecular Property Prediction Using Chemprop
Online Presentations | 06 May 2022 | Contributor(s):: Kevin Greenman
Chemprop is an open-source implementation of a directed message passing neural network (D-MPNN) that has been demonstrated to be successful in predicting a variety of molecular properties, including solvation properties, optical properties, infrared spectra, and toxicity....
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Refractory Oxidation Database
Tools | 19 Apr 2022 | Contributor(s):: Saswat Mishra, Sharmila Karumuri, Vincent Joseph Mika, Collin Conn Scott, Michael S Titus, Ilias Bilionis, Alejandro Strachan
Creates a database of refractory alloys oxidation
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URE Experience - DFT Thermoelectric Calculations
Online Presentations | 15 Apr 2022 | Contributor(s):: Gustavo Javier
Gustavo discusses his experience in the 2015 NCN URE program and his work to develop a thermoelectric simulation for the nanoHBU tool DFT Material Properties Simulator . Gustavo Javier now teaches high school physics in the Los Angeles area.The DFT Material Properties Simulator can compute...
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LAMMPS Data File Generator Tool Demo
Online Presentations | 15 Apr 2022 | Contributor(s):: Carlos Miguel Patiño
A quick demonstration of the nanoHUB tool LAMMPS Data-File Generator. This was developed as part of the 2017 NCN URE program.
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Learning and Teaching Data Science using nanoHUB’s Cloud Resources
Online Presentations | 18 Mar 2022 | Contributor(s):: Alejandro Strachan
This talk will discuss how data science is accelerating innovation in STEM fields. These tools enable the efficient handling of valuable data, the identification of patterns in large data collections, the development of predictive models, and the optimal design of experiments.