Quantum Chemistry in the Age of Machine Learning by Elsevier Science, Elsevier Science

Quantum Chemistry in the Age of Machine Learning
Elsevier Science, Elsevier Science
Page: 560
Format: pdf, ePub, mobi, fb2
ISBN: 9780323900492
Publisher: Elsevier Science
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Google audio books free download Quantum Chemistry in the Age of Machine Learning MOBI 9780323900492 (English Edition) by Elsevier Science, Elsevier Science

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.

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