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
VASP ingestor
20 Feb 2023 | Tools | Contributor(s): Kat Nykiel, Alejandro Strachan
Convert an atomate2 TaskDocument of VASP data to an interpretable set of features
Vacancy Formation Energy with MD
03 May 2017 | Tools | Contributor(s): Sam Reeve, Alejandro Strachan
Calculate vacancy formation energy with molecular dynamics and various atomic interaction models
Unsupervised learning using dimensionality reduction via matrix decomposition
01 Apr 2020 | Tools | Contributor(s): Michael N Sakano, Alejandro Strachan
Learn PCA and NMF via chemistry example
Thermo-Calc Educational Package
19 Feb 2021 | Tools | Contributor(s): Paul Mason, Alejandro Strachan
Test Tool for Neural Network Reactive Force Field for CHNO systems
30 Apr 2020 | Tools | Contributor(s): Pilsun Yoo, Saaketh Desai, Michael N Sakano, Peilin Liao, Alejandro Strachan
Run molecular dynamics and Do testing using the neural network reactive force field for HE materials
TensorFlow Tutorials
28 Sep 2018 | Tools | Contributor(s): Juan Carlos Verduzco Gastelum, Saaketh Desai, Alejandro Strachan
Ready-to-run Jupyter notebooks for machine learning using Tensorflow and Keras
Synopsys TCAD
01 Apr 2024 | Tools | Contributor(s): Ali Shamsapour, Harish Balan, Jesse Flores, Steven Clark, Juan Carlos Verduzco Gastelum, Alejandro Strachan
TCAD using Synopsys EDA
Synopsys digital design
01 Apr 2024 | Tools | Contributor(s): Harish Balan, Ali Shamsapour, Jesse Flores, Steven Clark, Juan Carlos Verduzco Gastelum, Alejandro Strachan
Digital design using Synopsys EDA
Solving the 2D Ising Model
20 Jul 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
Sim2L Results Explorer
02 Feb 2023 | Tools | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan
GUI for exploration of sim2l results in our resultsDB, allows for simple visualizations and query generation
Roll-to-Roll Manufacturing Database
14 Jun 2023 | Tools | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan, Richard S Hosler
Database intergration for real-time measurements of roll-to-roll manufacturing line
Roll-to-Roll Manufacturing Data Visualization
04 Dec 2023 | Tools | Contributor(s): Richard S Hosler, Alejandro Strachan, Juan Carlos Verduzco Gastelum
Roll-to-Roll Manufacturing Data Visualization tool to process data for the r2rdatabase sim2l
Roll-to-Roll Manufacturing Data Ingestion
22 Aug 2023 | Tools | Contributor(s): Alejandro Strachan, Richard S Hosler, Juan Carlos Verduzco Gastelum
Roll-to-Roll Manufacturing Data Ingestion tool to process data for the r2rdatabase sim2l
Refractory Oxidation Database
05 Feb 2022 | Tools | 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
Refractory Complex Concentrated Alloy Melting Point Calculation
25 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
Refractory alloys arc melting fabrication
01 Feb 2022 | Tools | Contributor(s): Saswat Mishra, Austin M Hernandez, Michael S Titus, Alejandro Strachan
Creates a database of refractory alloys prepared by arc melting and their experimental fabrication conditions
Random and Special Quasirandom Structure Generator
27 Jun 2019 | Tools | Contributor(s): Shivam Tripathi, Rileigh Anne Cotter, Sabir Utamsing, MD MAHBUBUL ISLAM, Mohsen B Kivy, Alejandro Strachan
Generate a Random and Special Quasi-random Structures using ATAT for FCC and BCC alloy systems
Querying Data Repositories
31 Mar 2020 | Tools | Contributor(s): Zachary D McClure, Alejandro Strachan
Query database repositories using Python based APIs and tips for managing data
Pressure-induced phase transformations database
20 Sep 2023 | Tools | Contributor(s): Alejandro Strachan, Ching-Chien Chen, Robert Joseph Appleton, Saswat Mishra
A database and interface allowing people input and query pressure-induced phase transformations of materials.
PolymerXtal - Polymer Crystal Structure Generator and Analysis Software
13 Oct 2020 | Tools | Contributor(s): Tongtong Shen, Jessica Nash, Alejandro Strachan
PolymerXtal is a software designed to build and analyze molecular-level polymer crystal structures.
Polymer Modeler
28 Jun 2010 | Tools | Contributor(s): Benjamin P Haley, Nate Wilson, Chunyu Li, Andrea Arguelles, Eugenio Jaramillo, Alejandro Strachan
Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties
PNJunction Lab Exploration Tool
06 Oct 2020 | Tools | Contributor(s): Daniel Mejia, Alejandro Strachan, Saaketh Desai
Pilling-Bedworth Ratio Calculator
12 Apr 2022 | Tools | Contributor(s): Zachary D McClure, Alejandro Strachan
Query unit cell structures from the Materials Project and calculate Pilling-Bedworth Ratio between metal and oxides
Perovskite VASP-Data Extractor
16 Jan 2024 | Tools | Contributor(s): Rushik Desai, Arun Kumar Mannodi Kanakkithodi, Alejandro Strachan
This tool would be used to extract important data from a perovskite VASP DFT run and store it on a queryable database.