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Data science in chemistry : artificial intelligence, big data, chemometrics, and quantum computing with Jupyter / Thorsten Gressling.

By: Material type: TextSeries: De Gruyter graduateDescription: xviii, 522 pages : illustrations ; 24 cmISBN:
  • 9783110629392
  • 3110629399
Subject(s): DDC classification:
  • 542.85 GRE
LOC classification:
  • QD39.3.E46 G74 2021
Contents:
Artificial Intelligence Chemical and Process Engineering Chemistry Computational Chemistry and Molecular Modeling Computer Sciences Computer Sciences in Natural Sciences Industrial Chemistry Materials Sciences
Summary: 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.
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Holdings
Cover image Item type Current library Home library Collection Shelving location Call number Materials specified Vol info URL Copy number Status Notes Date due Barcode Item holds Item hold queue priority Course reserves
General Books CUTN Central Library Sciences Non-fiction 542.85 GRE (Browse shelf(Opens below)) Checked out to M Ponmurugan (12001A) 19/06/2024 47299

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.

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