Data science in chemistry : artificial intelligence, big data, chemometrics, and quantum computing with Jupyter /
Gressling, Thorsten,
Data science in chemistry : artificial intelligence, big data, chemometrics, and quantum computing with Jupyter / Thorsten Gressling. - xviii, 522 pages : illustrations ; 24 cm. - De Gruyter graduate. . - De Gruyter graduate. .
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
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.
9783110629392 3110629399
Chemistry--Data processing.
QD39.3.E46 / G74 2021
542.85 / GRE
Data science in chemistry : artificial intelligence, big data, chemometrics, and quantum computing with Jupyter / Thorsten Gressling. - xviii, 522 pages : illustrations ; 24 cm. - De Gruyter graduate. . - De Gruyter graduate. .
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
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.
9783110629392 3110629399
Chemistry--Data processing.
QD39.3.E46 / G74 2021
542.85 / GRE