Quantum Chemistry in the Age of Machine Learning is popular PDF and ePub book, written by Pavlo O. Dral in 2022-09-16, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Quantum Chemistry in the Age of Machine Learning can be Read Online from any device for your convenience.
Quantum Chemistry in the Age of Machine Learning Book PDF Summary
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. Compiles advances of machine learning in quantum chemistry across different areas into a single resource Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry
Detail Book of Quantum Chemistry in the Age of Machine Learning PDF
- Author : Pavlo O. Dral
- Release : 16 September 2022
- Publisher : Elsevier
- ISBN : 9780323886048
- Genre : Science
- Total Page : 702 pages
- Language : English
- PDF File Size : 11,7 Mb
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