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Does nanoHUB’s online tools system support python modules outside Rappture? (Particulary SciPy/NumPy)
Q&A|Open | Responses: 1
I’m in the process of developing a tool in Python and I’m thinking of moving the project on to nanoHUB with Rappture, but my current code makes extensive use of https://nanohub.org/answers/question/602
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How to access and save sessions?
Q&A|Closed | Responses: 2
Is there a way to save the message log and subsequently reload it to a new session to repeat previous steps? I have unfortunately crashed the program multiple times and it would be helpful...
https://nanohub.org/answers/question/1749
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Recommended video lectures for beginners in Matlab and Python
Q&A|Closed | Responses: 1
Greetings
I am master student in Material science and Nanotechnology, and would like to study MATLAB and Python in close relation with...
https://nanohub.org/answers/question/1674
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A Batch Reification/Fusion Optimization Framework for Bayesian-based Material Optimization
Tools | 27 Apr 2021 | Contributor(s):: Richard Couperthwaite, Raymundo Arroyave
This tool is a Bayesian optimization framework that allows for a combination of a multi-fidelity (Reification/Fusion) optimization approach with a Batch Bayesian Approach.
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A Python Script For Energy Diagram Generation (CP2K NEB)
Downloads | 16 Dec 2019 | Contributor(s):: Kamalpreet Singh, Oleksandr Voznyy
This python script utilizes the .ener file generated by an NEB calculation performed in CP2K (quantum chemistry and solid-state physics software package) to generate the corresponding energy diagram alongside the appropriate raw data.
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A Python Script for Siesta Structure/Coordinate Block Generation
Downloads | 06 Jan 2020 | Contributor(s):: Kamalpreet Singh
Siesta Structure/Coordinate Block Generation This script will read a .xyz file and prepare a coordinate file for Siesta. The coordinate block can be copied directly to the clipboard or saved as a text file.
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A Python Script to Generate an Eigenvalue Spectrum from the EIG File (SIESTA)
Downloads | 06 Jan 2020 | Contributor(s):: Kamalpreet Singh
EIG Plot - Eigenvalue spectrum Generation This script automatically plots the .EIG file generated by the SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) program to see the eigenvalue spectrum to visualize the spread of eigenvalues.
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Agent Based Active Matter Simulations with Mechanica
Online Presentations | 14 Nov 2021 | Contributor(s):: Somogyi, Andy T
Mechanica is an interactive mesh-free, chemistry and biology simulation environment, with an emphasis towards enabling users to model and simulate complex sub-cellular and cellular biological physics problems. Mechanica is designed first and foremost to enable users to work interactively...
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Bayesian Calibration
Tools | 18 Feb 2014 | Contributor(s):: Martin Hunt, Benjamin P Haley, Jan Ebinger, Alejandro Strachan
Given a model, input data for some paramaters and output data, calibrate unknown input parameters
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Bhupesh Bishnoi
https://www.iitk.ac.in/new/bhupesh-bishnoi
https://nanohub.org/members/62512
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Chris Jones
https://nanohub.org/members/221455
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Jul 27 2020
CompuCell3D 15th User Training Workshop
Goal:By the end of this two-week course, participants will have implemented a basic simulation of their particular biological problem of interest. Post-course support and collaboration will be...
https://nanohub.org/events/details/1835
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Debanjan Basu
https://nanohub.org/members/78136
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Fouzia Shaikh
https://nanohub.org/members/175239
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Free Unified Rendering in Python
Online Presentations | 24 Nov 2021 | Contributor(s):: Eleftherios Garyfallidis
FURY is a new visualization engine and platform for 3D+ animations involving scientific data. It provides both desktop and web-based versions using an easily accessible Pythonic API. In addition, for experienced programmers it allows to directly access the GPU and program using shading...
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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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Getting Started with Jupyter Notebooks in nanoHUB
Series | 06 Jul 2021 | Contributor(s):: Tanya Faltens
These tutorials will introduce you to using Jupyter notebooks in nanoHUB and provide you with foundational information that will support learning coding and using more advanced Jupyter notebook tools and apps that are published in nanoHUB.
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GUI for the Surface Evolver - Polycrystalline Grain Growth
Presentation Materials | 08 Aug 2018 | Contributor(s):: Kevin K Ngo, Lucas Darby Robinson
This poster summarizes how the the online simulation tool, GUI for the Surface Evolver, was created as well as how it will impact research in polycrystalline grain growth. Polycrystalline grains have surface energies and tensions associated with them that cause grain boundaries to move...
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Hands-On Data Science and Machine Learning in Undergraduate Education
Courses | 07 Oct 2020 | 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.
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Hands-on Teaching with Jupyter Notebooks on nanoHUB
Online Presentations | 04 Oct 2022 | Contributor(s):: Michael Earl Reppert
Dr. Reppert will discuss his use of nanoHUB Jupyter Notebook-based content in college Chemistry courses, focusing on nanoHUB's unique possibilities for hands-on simulation, visualization, and programming projects.