AI Challenge: MD simulations using LLMs
25 Apr 2024 | Contributor(s): Juan Carlos Verduzco Gastelum, Ethan Holbrook, Saswat Mishra, Alejandro Strachan
AI for science challenge: MD simulations using large language models
Synopsys TCAD
04 Apr 2024 | Contributor(s): Ali Shamsapour, Harish Balan, Jesse Flores, Steven Clark, Juan Carlos Verduzco Gastelum, Alejandro Strachan
TCAD using Synopsys EDA
Synopsys digital design
04 Apr 2024 | Contributor(s): Harish Balan, Ali Shamsapour, Jesse Flores, Steven Clark, Juan Carlos Verduzco Gastelum, Alejandro Strachan
Digital design using Synopsys EDA
Elastic Constants with DFT
22 Mar 2024 | Contributor(s): Robert Joseph Appleton, Chukwuma Ezenwata, Kat Nykiel, Ching-Chien Chen, Saswat Mishra, Alejandro Strachan
Using quantum espresso to compute the stresses associated with different strain states and fitting the elastic tensor.
Perovskite VASP-Data Extractor
25 Mar 2024 | 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.
Roll-to-Roll Manufacturing Data Visualization
08 Jan 2024 | 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
Large language model competition for LAMMPS
20 Mar 2024 | Contributor(s): Ethan Holbrook, Saswat Mishra, Juan Carlos Verduzco Gastelum, William Zummo, Kat Nykiel, Alejandro Strachan
Large Language model demonstration for LAMMPS
08 Jan 2024 | Contributor(s): Ethan Holbrook, Juan Carlos Verduzco Gastelum, Saswat Mishra, Kat Nykiel, William Zummo, Alejandro Strachan
Pressure-induced phase transformations database
21 Sep 2023 | 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.
Roll-to-Roll Manufacturing Data Ingestion
12 Sep 2023 | 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
High Entropy Alloy Melting Point Calculation (App)
06 Sep 2023 | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan
This is an application wrapper for the meltheas app, which calculates the melting point of high entropy alloys
Computational Phase Stability
31 Jul 2023 | Contributor(s): Saswat Mishra, Alejandro Strachan
Calculate the phase stability as a function of chemical potentials from formation energies
Roll-to-Roll Manufacturing Database
12 Sep 2023 | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan, Richard S Hosler
Database intergration for real-time measurements of roll-to-roll manufacturing line
Cadence digital device simulation
Tools | 04 Apr 2024 | Contributor(s): Steven Clark, Alejandro Strachan
Digital device simulation using Cadence EDA
Microstructure Informed Shock-induced Temperature Network
Tools | 21 Feb 2023 | Contributor(s): Juan Carlos Verduzco Gastelum, Robert Joseph Appleton, Alejandro Strachan
VASP ingestor
Tools | 20 Feb 2023 | Contributor(s): Kat Nykiel, Alejandro Strachan
Convert an atomate2 TaskDocument of VASP data to an interpretable set of features
Sim2L Results Explorer
Tools | 06 Feb 2023 | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan
GUI for exploration of sim2l results in our resultsDB, allows for simple visualizations and query generation
Mechanical response of materials using Jupyter
Tools | 31 Jan 2023 | Contributor(s): Alejandro Strachan
This tool provides mathematical tools using python in Jupyter to explore and calculate mechanical properties of materials
Cell Relax DFT
Tools | 10 Nov 2022 | Contributor(s): Robert Joseph Appleton, Saswat Mishra, Kat Nykiel, Jason Wilkening, David Enrique Farache, Victoria Anne Tucker, Ching-Chien Chen, Chukwuma Ezenwata, Piyush Pathak, Alejandro Strachan
Cell relax dft with quantum espresso
No-code ML models
Tools | 18 Oct 2022 | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan
Solving the 2D Ising Model
Tools | 01 Nov 2022 | Contributor(s): Ava Hallberg, George Maxwell Nishibuchi, Kat Nykiel, Alejandro Strachan
Using Markov Chain Monte Carlo Method to visualize magnetism via Ising Model
GPU Implementation of MXMNet
Tools | 01 Jun 2022 | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan
Pilling-Bedworth Ratio Calculator
Tools | 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
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
Refractory alloys arc melting fabrication
Tools | 07 Mar 2022 | 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