Thorsten Gressling

Artificial Intelligence, Big Data, Chemometrics and Quantum Computing with Jupyter Series: De Gruyter Textbook De Gruyter | 2021

The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.

• A uniquely concise introduction for chemists looking to tap the potential of data science.
• Contains numerous working examples in Jupyter

The book would not have been possible without the passion and the contributions of hundreds of scientists who had listed their programs on GitHub! I thank Greg Landrum, Oliver Beckstein, Daniel Pelliccia, Björn Dahlgreen, and Jean-Baptiste Lamy, five individuals who are part of the GitHub community.

In case of errors or comments, please open an issue on github.com/Gressling/ examples. I am available on LinkedIn or ResearchGate for further contact and discussion.