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Computing in Chemistry Demo

This is a Bristol Scientific Computing (BriSC) Python interactive demonstration that showcases how Chemistry can be applied in a computing context. This provides a taster for the type of coding and approach we take on the "Chemistry with Computing" and "Scientific Computing with Data Science" programmes at the University of Bristol. See the BriSC webpage and Postgraduate Programme for Scientific Computing with Data Science for more details.

As this demo is Chemistry-themed, this assumes some knowledge of A-level Chemistry but no knowledge of computing is required. This demonstrates how we can use code to investigate experimental data.

Click on the icon to launch the demo through MyBinder:

Binder

Note: this may take a while to load as MyBinder is building a coding environment for you to use in the cloud. This will not save any changes made to the file and will timeout after a few minutes of inactivity but can be relaunched.

The Jupyter notebook uses data sourced and modified slightly from:

Repository: chemical-kinetics

Author: @flboudoire

License: MIT License

With documentation here: https://chemical-kinetics.readthedocs.io/en/latest/index.html

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Bristol Scientific Computing (BriSC) demonstration of using Python tools in a scientific context. This demo shows how we can use code to analyse chemical experimental data and derive understanding.

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