Python for Chemists

Vital stats

Language

Python 3

Reading time

Approximately 56 days

What you will learn

Algorithm and Data Structure

Author

Christian Hill

Published

1 year, 2 months ago

Packages you will be introduced to

numpy
scipy
matplotlib
sympy
pandas

Book cover of Python for Chemists by Christian Hill

External links

Book description (click to open)

This accessible and self-contained guide provides a comprehensive introduction to the popular programming language Python, with a focus on applications in chemistry and chemical physics. Ideally suited to students and researchers of chemistry learning to employ Python for problem-solving in their research, this fast-paced primer first builds a solid foundation in the programming language before progressing to advanced concepts and applications in chemistry. The required syntax and data structures are established, and then applied to solve problems computationally. Popular numerical packages are described in detail, including NumPy, SciPy, Matplotlib, SymPy, and pandas. End of chapter problems are included throughout, with worked solutions available within the book. Additional resources, datasets, and Jupyter Notebooks are provided on a companion website, allowing readers to reinforce their understanding and gain confidence applying their knowledge through a hands-on approach.

See 2 Author Credentials

The author Christian Hill has the following credentials.

Professor at University of Cambridge, one of the best universities in the world
Professor at University of Oxford, one of the best universities in the world