Python for chemists / Christian Hill, International Atomic Energy Agency.

Format:

Book

Author/Creator:

Hill, Christian, 1974- author.

Language:

English

Subjects (All):

Chemistry--Data processing.

Chemistry.

Chemistry, Physical and theoretical--Data processing.

Chemistry, Physical and theoretical.

Python (Computer program language).

Physical Description:

1 online resource (xi, 546 pages) : digital, PDF file(s).

Place of Publication:

Cambridge, United Kingdom ; New York, NY : Cambridge University Press, 2024.

Summary:

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.

Notes:

Title from publisher's bibliographic system (viewed on 13 Oct 2023).

Other Format:

Print version:

ISBN:

9781009106696 (ebook)

Access Restriction:

Restricted for use by site license.