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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.
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Simple Quantum Dot Lab (Web Interactive Front End)
08 Jan 2024 | Contributor(s):: Daniel Mejia, Gerhard Klimeck
Compute the eigenstates of a particle in a box of various shapes including domes and pyramids
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Crystal Viewer App (Web Interactive Front End)
17 Mar 2023 | Contributor(s):: Daniel Mejia, Gerhard Klimeck
Simtool Crystal viewer
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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
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nanoHUB Guide for Developers: Sim2Ls FAIR Workflows and Data
Presentation Materials | 07 Feb 2023 | Contributor(s):: Alejandro Strachan
This presentation is part of the short course "Getting Started Guide for nanoHUB Tool and App Developers" which covers the following topics:Why publish tools & apps in nanoHUB?Various tool and app typesSim2Ls: FAIR workflows and dataApp...
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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
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Piece-Wise Constant Potential Barrier Sim2L
Tools | 01 Feb 2023 | Contributor(s):: Daniel Mejia
Piece-Wise Constant Potential Barrier simulation using sim2l infrastructure
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How to create a Sim2L
Online Presentations | 15 Sep 2022 | Contributor(s):: Daniel Mejia, Alan Ian Zhang
Video tutorials on Sim2L building
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PyOxidation
Tools | 08 Aug 2022 | Contributor(s):: Noah Bradley Hallberg, Michael S Titus, Saswat Mishra
Predicts high-temperature oxidation behavior of refractory alloys
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ANN Model Generator
Tools | 11 Jul 2022 | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan
Simtool workflow to create ANN models for user datasets
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Single Gate Moscap
Tools | 24 May 2022 | Contributor(s):: Daniel Mejia, Darin Tsai, Alan Ian Zhang, Aloysius Brave Rebeiro
Simtool to simulate single Gate Moscap
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Visualization Dashboard for MPCAs
Tools | 09 Mar 2022 | Contributor(s):: Juan Carlos Verduzco Gastelum, Zachary D McClure, Alejandro Strachan
Sim2L Visualization Dashboard for Multi-Principal Component Allloys
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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.
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Caesar Cipher
Tools | 22 Oct 2021 | Contributor(s):: Darin Tsai, Alan Ian Zhang
Caesar Cipher with 2 additional outputs (Vip project)
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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.
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pntoy using simtool infrastructure
Tools | 02 Feb 2021 | Contributor(s):: Daniel Mejia
PNJunction Simtool
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Introduction to Sim2Ls
Tools | 22 Apr 2020 | Contributor(s):: Saaketh Desai, Steven Clark, Alejandro Strachan
Learn about Sim2Ls - a product to deliver simulations with validated inputs, outputs and simulation caching in nanoHUB
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Melting point simulation using OpenKIM
Tools | 22 Mar 2019 | Contributor(s):: Martin Hunt, Alejandro Strachan, Saaketh Desai
Computes melting point using a coexistence technique using interatomic potentials from OpenKIM
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QDOT Jupyter Test
Tools | 29 Jan 2019 | Contributor(s):: Martin Hunt
a test and demo of the qdot tool ported to Jupyter