Data Science in Chemistry: Artificial Intelligence, Big Data, Chemometrics and Quantum Computing with Jupyter (De Gruyter Textbook)

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.

Dr. Gressling received his PhD in solid-state and theoretical chemistry from Kiel University in 1996. After three decades of working in software development and the emerging field of data science, he is now employed as Business Leader Artificial Intelligence at the software consultancy ARS.