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Learning Python 3 using "Python for Everybody" with nanoHUB Jupyter Notebooks
Teaching Materials | 06 Jul 2021 | Contributor(s):: Tanya Faltens
This document provides instructions for setting up your nanoHUB file structure and using Jupyter notebooks in nanoHUB to go through the online course, "Python for Everybody".This course is free and readily available, but may not be what you are looking for.For a shorter tutorial...
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The Jupyter Dashboard, Notebook and Terminal Interfaces in nanoHUB
Teaching Materials | 06 Jul 2021 | Contributor(s):: Tanya Faltens
This document describes the functionalities and appearance of the Jupyter Dashboard, Notebook and Terminal interfaces in nanoHUB.
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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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The Materials Simulation Toolkit for Machine Learning (MAST-ML): Automating Development and Evaluation of Machine Learning Models for Materials Property Prediction
Online Presentations | 25 Jun 2021 | Contributor(s):: Ryan Jacobs
This tutorial contains an introduction to the use of the Materials Simulation Toolkit for Machine Learning (MAST-ML), a python package designed to broaden and accelerate the use of machine learning and data science methods for materials property prediction.
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Python Tutor
Collections |
21 May 2021 |
Posted by Tanya Faltens
https://nanohub.org/members/29294/collections/ncn-ure
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IPython Notebooks for Machine Learning
Collections |
21 May 2021 |
Posted by Tanya Faltens
https://nanohub.org/members/29294/collections/ncn-ure
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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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Mihir Gaglani
My encounter with Li-ion batteries happened during my Masters and I almost fall for it. I'm currently working as a battery modeling engineer at Nunam.A battery modeling engineer is quite a...
https://nanohub.org/members/320848
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Recursive algorithm for NEGF in Python GPU version
Downloads | 02 Feb 2021 | Contributor(s):: Ning Yang, Tong Wu, Jing Guo
This folder contains two Python functions for GPU-accelerated simulation, which implements the recursive algorithm in the non-equilibrium Green’s function (NEGF) formalism. Compared to the matlab implementation [1], the GPU version allows massive parallel running over many cores on GPU...
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Krishna Sai Kaligotla
https://nanohub.org/members/308153
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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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sayedul islam
https://nanohub.org/members/301108
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Sebastian Rivas
https://nanohub.org/members/296706
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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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Jeff Scully
I graduated with a my Bachelors in Physics from UMKC, while I may be stepping away from going forward in my degree at the moment I want to stay sharp and be ready when I can start my masters in...
https://nanohub.org/members/287988
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Running a Python 3 Script in a nanoHUB Jupyter Notebook
Online Presentations | 01 May 2020 | Contributor(s):: Tanya Faltens
This tutorial will show you how to create and run Python 3 code in a Jupyter notebook, rather than creating and running a Python script. We are working along with Chapter 1.8 “Writing a program” in the Python for Everybody course. In this lesson they execute a Python script that...
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Nicole Shuman
Nicole is currently pursuing her graduate degree in Materials Science and Engineering from the University of Florida (expected Dec. 2022 graduation). She graduated from the University of...
https://nanohub.org/members/277421
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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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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 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.