Quantum Chemistry in the Age of Machine Learning

Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are...
$751.34 SGD
$751.34 SGD
SKU: 9780323900492
Product Type: Books
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Author: Pavlo O. Dral
Format: Paperback
Language: English
Subtotal: $751.34
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Quantum Chemistry in the Age of Machine Learning by Dral, Pavlo O.

Quantum Chemistry in the Age of Machine Learning

$751.34

Quantum Chemistry in the Age of Machine Learning

$751.34
Author: Pavlo O. Dral
Format: Paperback
Language: English

Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning.

Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field.



Author: Pavlo O. Dral
Publisher: Elsevier
Published: 09/15/2022
Pages: 702
Binding Type: Paperback
Weight: 2.61lbs
Size: 9.25h x 7.50w x 1.40d
ISBN: 9780323900492

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