https://github.com/weisscharlesj/scicompchem_jupyterbook

Scientific Computing for Chemists Jupyter Book
https://github.com/weisscharlesj/scicompchem_jupyterbook

book chemistry jupyter jupyter-lab matplot nmrglue numpy pandas python scikit-image scikit-learn scipy seaborn textbook

Last synced: about 1 month ago
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Scientific Computing for Chemists Jupyter Book

• Host: GitHub
• URL: https://github.com/weisscharlesj/scicompchem_jupyterbook
• Owner: weisscharlesj
• Created: 2022-02-27T18:44:36.000Z (almost 3 years ago)
• Default Branch: main
• Last Pushed: 2022-03-13T16:44:34.000Z (almost 3 years ago)
• Last Synced: 2024-11-07T09:38:06.514Z (3 months ago)
• Topics: book, chemistry, jupyter, jupyter-lab, matplot, nmrglue, numpy, pandas, python, scikit-image, scikit-learn, scipy, seaborn, textbook
• Language: Jupyter Notebook
• Homepage:
• Size: 67.6 MB
• Stars: 1
• Watchers: 1
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
# SciCompChem_JupyterBook

This book is an introductiont to computer programming for chemistry students and was origionally written for the course described in the below publications.

This book and all associated files are copyright © 2022 Charles J. Weiss and are released under under the [CC BY-NC-SA 4.0](https://creativecommons.org/licenses/by-nc-sa/4.0/) license.

## Chapter Outline

* Chapter 0: Python & Jupyter Notebooks

* Chapter 1: Basic Python

* Chapter 2: Intermediate Python

* Chapter 3: Plotting with Matplotlib

* Chapter 4: NumPy

* Chapter 5: Pandas

* Chapter 6: Signal & Noise

* Chapter 7: Image Processing & Analysis

* Chapter 8: Mathematics

* Chapter 9: Simulations

* Chapter 10: Plotting with Seaborn

* Chapter 11: Nuclear Magnetic Resonance with NMRglue

* Chapter 12: Machine Learning using Scikit-Learn

* Chapter 13: Command Line & Spyder

## Articles on Course and Textbook

Scientific Computing for Chemists: An Undergraduate Course in Simulations, Data Processing, and Visualization *J. Chem. Educ.* **2017,** 94, 592-597 [DOI: 10.1021/acs.jchemed.7b00078](http://dx.doi.org/10.1021/acs.jchemed.7b00078)  

Introduction to Stochastic Simulations for Chemical and Physical Processes: Principles and Applications *J. Chem. Educ.* **2017,** 94, 1904-1910 [DOI: 10.1021/acs.jchemed.7b00395](http://dx.doi.org/10.1021/acs.jchemed.7b00395)

A Creative Commons Textbook for Teaching Scientific Computing to Chemistry Students with Python and Jupyter Notebooks *J. Chem. Educ.* **2021,** 98, 489-494 [DOI: 10.1021/acs.jchemed.0c01071](https://doi.org/10.1021/acs.jchemed.0c01071)