Pilling-Bedworth Ratio Calculator
15 Apr 2022 | Contributor(s): Zachary D McClure, Alejandro Strachan
Query unit cell structures from the Materials Project and calculate Pilling-Bedworth Ratio between metal and oxides
Visualization Dashboard for MPCAs
09 Mar 2022 | Tools | Contributor(s): Juan Carlos Verduzco Gastelum, Zachary D McClure, Alejandro Strachan
Sim2L Visualization Dashboard for Multi-Principal Component Allloys
Feature Selection for CCA Strength Models
06 Dec 2021 | Tools | Contributor(s): Zachary D McClure, Alejandro Strachan
A tool to evaluate dataset of hardness and strength values of complex-concentrated-alloys. Feature selection, optimization, and explanation methods are included.
Active learning challenge for optimal material properties
08 Apr 2021 | Tools | Contributor(s): Zachary D McClure, Alejandro Strachan
Explore active learning methods to search known and unknown spaces of alloys and their material hardness
Active Learning Workflow for MPCAs
05 Oct 2021 | Tools | Contributor(s): Juan Carlos Verduzco Gastelum, David Enrique Farache, Zachary D McClure, Saaketh Desai, Alejandro Strachan
Active learning workflow for MPCAs using MD simulation tool MeltHEAS for optimized melting temperatures
Module 3: Materials Descriptors for Data Science
27 Jan 2021 | Online Presentations | 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...
Feature Selection for Machine Learning
15 Dec 2020 | Tools | Contributor(s): Zachary D McClure, Alejandro Strachan
Assessing feature selection for machine learning models
Machine learning for high entropy atomic properties
26 Oct 2021 | Tools | Contributor(s): Mackinzie S Farnell, Zachary D McClure, Alejandro Strachan
Explore machine learning models used to assess the variations in local atomic properties in high entropy alloys.
Module 2: Querying Materials Data Repositories
30 Sep 2020 | Online Presentations | 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,...
Hands-On Data Science and Machine Learning in Undergraduate Education
07 Oct 2020 | Courses | Contributor(s): Alejandro Strachan, Saaketh Desai, Juan Carlos Verduzco Gastelum, Michael N Sakano, Zachary D McClure, Joseph M. Cychosz, Jared Gray West
This series of modules introduce key concepts in data science in the context of application in materials science and engineering.
Matlab Coding and Data Analysis in the Context of Radiation Hardening
01 Oct 2020 | Tools | Contributor(s): Amanda Johnston, Alejandro Strachan, Congying Wang, Adrian Nat Gentry, Zachary D McClure, Tamara J. Moore, Anne DeLion, Lukas Beebe Diehm, Zofia Marta Stawiarska
Learn Matlab coding within the context of Radiation Hardening problems.
Matlab Data Analysis Using Jupyter Notebooks
24 Jul 2020 | Tools | Contributor(s): Jon Nykiel, Anna Leichty, Zachary D McClure, Alejandro Strachan, Aileen Ryan, Adrian Nat Gentry, Amanda Johnston, Tamara Jo Moore, Allen Garner, Peter Bermel
Use Jupyter Notebooks with a Matlab kernel running in the background for data analysis and intro to engineering homework problems
High Temperature Oxide Property Explorer
29 Jun 2020 | Tools | Contributor(s): Zachary D McClure, Alejandro Strachan
Explore material properties of common and niche oxide materials for high-temperature applications
Refractory Complex Concentrated Alloy Melting Point Calculation
28 May 2020 | Tools | Contributor(s): Zachary D McClure, Saaketh Desai, Alejandro Strachan
Calculate melting point of BCC-type high entropy alloys through phase coexistence method
Querying Data Repositories
03 Apr 2020 | Tools | Contributor(s): Zachary D McClure, Alejandro Strachan
Query database repositories using Python based APIs and tips for managing data
High Entropy Alloy Melting Point Calculation
05 Mar 2020 | Tools | Contributor(s): Zachary D McClure, Saaketh Desai, Alejandro Strachan
Calculate melting point of high entropy alloys through phase coexistence method