Python for Chemists by Christian Hill book pdf download 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.
This book aims to provide a resource for students, teachers and researchers in chemistry who want to use Python in their work. Over the last 10 years, the Python programming language has been widely adopted by scientists, who appreciate its expressive syntax, gentle learning curve and numerous packages and libraries which facilitate numerical work.
The book is composed of relatively short chapters, each with a specific job. Mostly, these jobs fall into one of two categories: to act as a tutorial on a specific part of the Python language or one of its libraries, or to demonstrate the application of Python to a particular concept in chemistry.