TY  - BOOK
AU  - Gressling,Thorsten
TI  - Data science in chemistry: artificial intelligence, big data, chemometrics, and quantum computing with Jupyter 
T2  - De Gruyter graduate
SN  - 9783110629392
AV  - QD39.3.E46 G74 2021
U1  - 542.85 
KW  - Chemistry
KW  - Data processing
N1  - Includes bibliographical references and index; Artificial Intelligence
 
Chemical and Process Engineering
 
Chemistry
 
Computational Chemistry and Molecular Modeling
 
Computer Sciences
 
Computer Sciences in Natural Sciences
 
Industrial Chemistry
 
Materials Sciences
N2  - About this book
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.
Author information
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
ER  -