Quantum Chemistry In The Age Of Machine Learning Book Pdf
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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 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
Hello World
'One of the best books yet written on data and algorithms. . .deserves a place on the bestseller charts.' (The Times) You are accused of a crime. Who would you rather determined your fate - a human or an algorithm? An algorithm is more consistent and less prone to error of judgement. Yet a human can look you in the eye before passing sentence. Welcome to the age of the algorithm, the story of a not-too-distant future where machines rule supreme, making important decisions - in healthcare, transport, finance, security, what we watch, where we go even who we send to prison. So how much should we rely on them? What kind of future do we want? Hannah Fry takes us on a tour of the good, the bad and the downright ugly of the algorithms that surround us. In Hello World she lifts the lid on their inner workings, demonstrates their power, exposes their limitations, and examines whether they really are an improvement on the humans they are replacing. A BBC RADIO 4: BOOK OF THE WEEK SHORTLISTED FOR THE 2018 BAILLIE GIFFORD PRIZE AND 2018 ROYAL SOCIETY SCIENCE BOOK PRIZE
Intelligent Computing Everywhere
Author: Alfons Schuster
language: en
Publisher: Springer Science & Business Media
Release Date: 2007-10-04
This book reflects the current perception in various fields that modern computing applications are becoming increasingly challenged in terms of complexity and intelligence. It investigates the relevance and relationship artificial intelligence maintains with "modern strands of computing". These consist of pervasive computing and ambient intelligence, bioinformatics, neuroinformatics, computing and the mind, non-classical computing and novel computing models, as well as DNA computing and quantum computing.