Accelerating Radiation Damage Simulation Through Machine Learning
Online Presentations | 21 May 2024 | Contributor(s): Vinay Gupta, Shrienidhi Gopalakrishnan, Brian Hyun-jong Lee, Alejandro Strachan
This study explores the challenge of material degradation from radiation exposure, a phenomenon that significantly impacts fields ranging from materials science to nuclear engineering and space exploration. As of today, the primary solution of conventional simulation techniques are...
SCALE RH Machine-learning Based Optimization of Materials for Microelectronics
Online Presentations | 16 May 2024 | Contributor(s): Shrienidhi Gopalakrishnan, Vinay Gupta, Alejandro Strachan, Brian Hyun-jong Lee
The purpose of this research is to explore the topic of radiation damage and its effect on material degradation. The effects of radiation damage can be seen in many places, from nuclear systems to space. Current simulation techniques are both expensive and difficult to use. This project aims to...
Summer Research Opportunities II
Online Presentations | 09 Feb 2024 | Contributor(s): Kendrick Davis, Janelle P Wharry, James Hewlett, T.J. Sego, Alejandro Strachan, Kat Nykiel, James A Glazier, Hayden Fennell, The Micro Nano Technology - Education Center
Learn about more summer research opportunities that are available for MNT-CURN students.
nanoHUB: AI, Data, and Simulations for Students, Researchers and Instructors
Online Presentations | 11 Jan 2024 | Contributor(s): Alejandro Strachan, The Micro Nano Technology - Education Center
This talk will introduce nanoHUB resources for physics-based simulations, machine learning, and collaboration that can be used by students and instructors in research and education.
SCALE Dissemination and Online Resources
Online Presentations | 14 Jul 2023 | Contributor(s): Alejandro Strachan
Blockchain and Proof of Work Lab
Online Presentations | 25 Apr 2023 | Contributor(s): Oneal Douglin, Yu-Chung Chang, Alfonso Daniel Meraz, Brian Hyun-jong Lee, Shivam Tripathi, Alejandro Strachan
Blockchain is a technology for a distributed, tamperproof ledger, with untrusted agents.
Blockchain & Proof of Useful Work
Online Presentations | 01 Jul 2022 | Contributor(s): Alejandro Strachan, Oneal Douglin, Yu-Chung Chang, Alfonso Daniel Meraz, Brian Hyun-jong Lee, Shivam Tripathi, The Micro Nano Technology - Education Center
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.
nanoHUB.org: Immersive Online Semiconductor Education and Workforce Development with Broad Academic Adoption
Online Presentations | 02 Feb 2022 | Contributor(s): Gerhard Klimeck, Daniel Mejia, Alejandro Strachan, Lynn Zentner, Michael Zentner
Over 150,000 nanoHUB users have run over 7 million simulations in browsers. Most nanoHUB apps deal with semiconductor device and materials modeling. These apps provide very simple and intuitive interfaces to community codes that are hard to install, operate, and to maintain even for experts. As...
Gateways 2021 Tutorial: SimTools—Software tools that are FAIR
Online Presentations | 07 Dec 2021 | Contributor(s): Steven Clark, Daniel Mejia, Alejandro Strachan
In this tutorial, we will walk attendees through how SimTools operate within the nanoHUB.org gateway. In a 90-minute session designed for beginners, attendees will create an account on nanoHUB to complete hands-on activities during the tutorial. Some experience with Python is preferred.
SimTools: Delivering Simulations in the Era of Abundant Data
Online Presentations | 04 Jun 2021 | 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.
nanoHUB R&D 100 Award Submission Video
Online Presentations | 05 Mar 2021 | Contributor(s): Gerhard Klimeck, Alejandro Strachan
We at nanoHUB would like to thank our users and content contributors as well as our partners at Purdue University and elsewhere around the globe for all the support they have given us over the years. We couldn’t have done it without you.Purdue University nanoHUB.org, a web platform for...
Module 3: Materials Descriptors for Data Science
Online Presentations | 27 Jan 2021 | Contributor(s): Alejandro Strachan, Juan Carlos Verduzco Gastelum, Zachary D McClure
This module focuses on the use of descriptors to improve the description of materials in machine learning. Augmenting input parameters with appropriate descriptors (a process sometimes called featurization) can often significantly improve the accuracy of predictive models. Ideal descriptors are...
Module 1: Making Data Accessible, Discoverable and Useful
Online Presentations | 27 Jan 2021 | Contributor(s): Alejandro Strachan, Juan Carlos Verduzco Gastelum
This module focuses on the importance of make materials data discoverable, interoperable, and available and best practices to doing so. Data generation is both time consuming and costly, thus, making the available, as appropriate, with the community is critical to accelerate innovation. This is...
Jupyter in nanoHUB: Developing and Deploying Jupyter Tools in nanoHUB
Online Presentations | 16 Dec 2020 | Contributor(s): Alejandro Strachan
This presentation is available for pre-screening. The final presentation production will be forth coming.
Hands-on Deep Learning for Materials Science: Convolutional Networks and Variational Autoencoders
Online Presentations | 13 Nov 2020 | Contributor(s): Vinay Hegde, Alejandro Strachan
This tutorial introduces deep learning techniques such as convolutional neural networks and variational auto encoders from a materials standpoint.
Module 2: Querying Materials Data Repositories
Online Presentations | 30 Sep 2020 | Contributor(s): Zachary D McClure, Alejandro Strachan
This module introduces modern tools for data acquisition, including performing large queries using application programming interfaces (APIs), with hands-on online workflows. Cyber-infrastructure platforms for data offer unparalleled access to data, this module will introduce tools to manage,...
Module 5: Neural Networks for Regression and Classification
Online Presentations | 01 Oct 2020 | Contributor(s): Saaketh Desai, Alejandro Strachan
This module introduces neural networks for material science and engineering with hands-on online simulations. Neural networks are a subset of machine learning models used to learn mappings between inputs and outputs for a given dataset. Neural networks offer great flexibility and have shown...
Module 4: Linear Regression Models
Online Presentations | 01 Oct 2020 | Contributor(s): Michael N Sakano, Saaketh Desai, Alejandro Strachan
This module introduces linear regression in the context of materials science and engineering. We will apply liner regression to predict materials properties and to explore correlations between materials properties via hands-on online simulations. Linear regression is a supervised machine...
Module 7: Active Learning for Design of Experiments
Online Presentations | 30 Sep 2020 | Contributor(s): Alejandro Strachan, Juan Carlos Verduzco Gastelum
This module introduces active learning in the context of materials discovery with hands-on online simulations. Active learning is a subset of machine learning where the information available at a given time is used to decide what areas of space to explore next. In this module, we will explore...
Hands-on Introduction to Data & Machine Learning in Science and Engineering
This hands-on tutorial will introduce participants to modern tools to manage, organize, and visualize data as well as machine learning techniques to extract information from it. We will discuss introductory activities designed to introduce undergraduate students to data science and advanced...
nanoHUB: Accelerating Innovation via User-Friendly, Online Apps, Tools, and Data
Online Presentations | 20 Jul 2020 | Contributor(s): Alejandro Strachan, Gerhard Klimeck, Jared Gray West, Joseph M. Cychosz
Learn about the recent technological breakthroughs that are changing how simulations and the associated data are consumed and making simulation and data pervasive. From instant feedback via our simulation cache, to enabling the exploration of community generated results and machine learning...
Predictive Simulations of Materials & nanoHUB Simulations
Online Presentations | 11 Oct 2018 | Contributor(s): Alejandro Strachan
This talk will discuss state of the art methods for atomistic simulations and exemplify their application for the computational design of full-density metallic metamaterials with ultra-low stiffness. Stiffness about an order of magnitude smaller than possible to date is achieved via the...
Electronic and Thermoelectric Characterization of Materials from Ab Initio Calculations
Online Presentations | 15 Aug 2017 | Contributor(s): Gustavo Javier, David M Guzman, Austin Jacob Zadoks, Alejandro Strachan
We present the Optimized Workflow for Electronic and Thermoelectric Properties (OWETP) python notebook, which uses Density Functional Theory (DFT) as implemented in the Quantum Espresso code for electronic properties of materials. The OWETP python notebook also enables connecting to the Materials...
Structure-Force Field Generator for Molecular Dynamics Simulations
Online Presentations | 07 Aug 2017 | Contributor(s): Carlos Miguel Patiño, Lorena Alzate-Vargas, Alejandro Strachan
Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and the necessity of new and improved materials. Despite this, first principle simulations of large molecules are still not possible because the high computational time and...