Using Adobe Premiere for Frame Rate Converstion to 30 Hz

16 Jun 2021 | Online Presentations | Contributor(s): Chris Centrella, Joseph M. Cychosz

This video presentation is a guided tutorial on how to convert videos to 30 frames per second. NanoHUB's HubPresenter requires its videos to be 30 fps or the slide synchronization will be incorrect.

Classical Computing with Topological States: Coping with a post-Moore World

21 Jun 2021 | Online Presentations | Contributor(s): Avik Ghosh

There are two examples I will focus on ? one is doing conventional Boolean logic at low power below the thermal Boltzmann limit, using the topological properties of Dirac fermions to control transmission across a gated interface. The other is doing collective computing using temporal state...

Transistor Mania: Modeling Electron Flow

17 Jun 2021 | Teaching Materials | Contributor(s): Meghan Saxer, NNCI Nano

This activity is designed to help the students understand the significance of transistors in their lives. Students will learn how current research on nanoscale transistors is making their favorite electronic devices (i.e., cell phones, gaming devices, computers, etc.) faster and more powerful....

Particle Size and Spectral Analysis of AgNO3 and Cu: Design Challenge Activity

17 Jun 2021 | Teaching Materials | Contributor(s): John H. Hitchcock, NNCI Nano

When the traditional silver nitrate reduction by copper is performed, students are often puzzled by the black appearance of the silver when it first is observed. In this activity, students will research two questions about the reaction, develop a viable system of gathering data, and investigate...

Bayesian optimization tutorial using Jupyter notebook

11 Jun 2021 | Tools | Contributor(s): Hieu Doan, Garvit Agarwal

Active learning via Bayesian optimization for materials discovery

Active Learning via Bayesian Optimization for Materials Discovery

25 Jun 2021 | Online Presentations | Contributor(s): Hieu Doan, Garvit Agarwal

In this tutorial, we will demonstrate the use of active learning via Bayesian optimization (BO) to identify ideal molecular candidates for an energy storage application.

Batch Reification Fusion Optimization (BAREFOOT) Framework

09 Jun 2021 | Online Presentations | Contributor(s): Richard Couperthwaite

This tutorial will present the fundamentals of multi-fidelity fusion as well as Sequential and Batch Bayesian Optimization as possible optimization approaches that can be integrated with high accuracy computational models or experimental procedures to speed up the optimization or design of...

The Materials Simulation Toolkit for Machine Learning (MAST-ML): Automating Development and Evaluation of Machine Learning Models for Materials Property Prediction

25 Jun 2021 | Online Presentations | Contributor(s): Ryan Jacobs

This tutorial contains an introduction to the use of the Materials Simulation Toolkit for Machine Learning (MAST-ML), a python package designed to broaden and accelerate the use of machine learning and data science methods for materials property prediction.

An Introduction to Machine Learning for Materials Science: A Basic Workflow for Predicting Materials Properties

25 Jun 2021 | Online Presentations | 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.

SimTools: Delivering Simulations in the Era of Abundant Data

04 Jun 2021 | Online Presentations | Contributor(s): Alejandro Strachan

This presentation introduces SimTool, a library that allows developers to create, publish, and share reproducible workflows with well-defined and verified inputs and outputs.

Solving the 2D Ising Model

01 Nov 2022 | Tools | Contributor(s): Ava Hallberg, George Maxwell Nishibuchi, Kat Nykiel, Alejandro Strachan

Using Markov Chain Monte Carlo Method to visualize magnetism via Ising Model

Carbon Nanotube Fracture

27 May 2021 | Teaching Materials | Contributor(s): Christine M Aikens, George C. Schatz, Marcelo Carignano

Due to their mechanical properties, carbon nanotubes (CNTs) hold promise as nanoreinforcements in a variety of composites. As a result, numerous theoretical and experimental studies have been performed in order to understand the behavior of CNTs under axial tension. Whereas quantum mechanical...

Optical and Thermodynamic Properties of Gold Metal Nanoparticles - Effect of Chemical Functionalization

27 May 2021 | Teaching Materials | Contributor(s): Baudilio Tejerina, George C. Schatz, Marcelo Carignano

This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical methods will be applied to the study of metallic clusters and the interaction of the clusters with discrete molecular systems such as pyridine.

Gr-ResQ (Graphene Rescue) Tool Tutorial & Training

03 Jun 2021 | Courses | 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...

Model Rockets and Composite Materials: Design, Build, Launch

27 May 2021 | Teaching Materials | Contributor(s): Amber Genau

Students will gain experience with polymer matrix fiber composites, composite production, and the tradeoffs inherent in the engineering design process by designing, building and launching their own model rocket.  Composite materials are created via hand layup and vacuum assisted resin...

Gr-ResQ Tutorial III: Machine Learning and Beyound

03 Jun 2021 | Online Presentations | Contributor(s): Mitisha Surana

Gr-ResQ Tutorial II: Tool Demonstration and Training

04 Jun 2021 | Online Presentations | Contributor(s): Mitisha Surana

Gr-ResQ Tutorial I: Introduction and Framework

03 Jun 2021 | Online Presentations | Contributor(s): Mitisha Surana

Retinal Isomerization

28 May 2021 | Teaching Materials | Contributor(s): Christine M Aikens, George C. Schatz, Marcelo Carignano

In this project you will use QC-Lab to examine the isomerization thermodynamics for a number of electronic structure methods and basis sets.

Melting of RCCAs using Neural Network Reactive Forcefield

18 Apr 2022 | Tools | Contributor(s): Zachary Bastian, Saswat Mishra, Alejandro Strachan

Melting of Refractory Complex Concentrated Alloys using a Neural Network Reactive Forcefield