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Author: N.B. Singh Publisher: N.B. Singh ISBN: Category : Computers Languages : en Pages : 306
Book Description
"From Schrödinger's Equation to Deep Learning: A Quantum Approach" offers a captivating exploration that bridges the realms of quantum mechanics and deep learning. Tailored for scientists, researchers, and enthusiasts in both quantum physics and artificial intelligence, this book delves into the symbiotic relationship between quantum principles and cutting-edge deep learning techniques. Covering topics such as quantum-inspired algorithms, neural networks, and computational advancements, the book provides a comprehensive overview of how quantum approaches enrich and influence the field of deep learning. With clarity and depth, it serves as an enlightening resource for those intrigued by the dynamic synergy between quantum mechanics and the transformative potential of deep learning.
Author: N.B. Singh Publisher: N.B. Singh ISBN: Category : Computers Languages : en Pages : 306
Book Description
"From Schrödinger's Equation to Deep Learning: A Quantum Approach" offers a captivating exploration that bridges the realms of quantum mechanics and deep learning. Tailored for scientists, researchers, and enthusiasts in both quantum physics and artificial intelligence, this book delves into the symbiotic relationship between quantum principles and cutting-edge deep learning techniques. Covering topics such as quantum-inspired algorithms, neural networks, and computational advancements, the book provides a comprehensive overview of how quantum approaches enrich and influence the field of deep learning. With clarity and depth, it serves as an enlightening resource for those intrigued by the dynamic synergy between quantum mechanics and the transformative potential of deep learning.
Author: Paul L. A. Popelier Publisher: World Scientific ISBN: 1848167253 Category : Science Languages : en Pages : 375
Book Description
The Schrodinger equation is the master equation of quantum chemistry. The founders of quantum mechanics realised how this equation underpins essentially the whole of chemistry. However, they recognised that its exact application was much too complicated to be solvable at the time. More than two generations of researchers were left to work out how to achieve this ambitious goal for molecular systems of ever-increasing size. This book focuses on non-mainstream methods to solve the molecular electronic Schrodinger equation. Each method is based on a set of core ideas and this volume aims to explain these ideas clearly so that they become more accessible. By bringing together these non-standard methods, the book intends to inspire graduate students, postdoctoral researchers and academics to think of novel approaches. Is there a method out there that we have not thought of yet? Can we design a new method that combines the best of all worlds?
Author: Pavlo O. Dral Publisher: Elsevier ISBN: 0323886043 Category : Science Languages : en Pages : 702
Book Description
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
Author: Publisher: Elsevier ISBN: 0443239851 Category : Mathematics Languages : en Pages : 590
Book Description
Numerical Analysis Meets Machine Learning series, highlights new advances in the field, with this new volume presenting interesting chapters. Each chapter is written by an international board of authors. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in the Handbook of Numerical Analysis series - Updated release includes the latest information on the Numerical Analysis Meets Machine Learning
Author: Catherine Sulem Publisher: Springer Science & Business Media ISBN: 0387227687 Category : Mathematics Languages : en Pages : 363
Book Description
Filling the gap between the mathematical literature and applications to domains, the authors have chosen to address the problem of wave collapse by several methods ranging from rigorous mathematical analysis to formal aymptotic expansions and numerical simulations.
Author: George Chapline Publisher: World Scientific ISBN: 981323248X Category : Computers Languages : en Pages : 194
Book Description
This compendium brings together the fields of Quantum Computing, Machine Learning, and Neuromorphic Computing. It provides an elementary introduction for students and researchers interested in quantum or neuromorphic computing to the basics of machine learning and the possibilities for using quantum devices for pattern recognition and Bayesian decision tree problems. The volume also highlights some possibly new insights into the meaning of quantum mechanics, for example, why a description of Nature requires probabilistic rather than deterministic methods.
Author: Kristof T. Schütt Publisher: Springer Nature ISBN: 3030402452 Category : Science Languages : en Pages : 473
Book Description
Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.
Author: Qingsheng Wang Publisher: John Wiley & Sons ISBN: 1119817501 Category : Technology & Engineering Languages : en Pages : 324
Book Description
Introduces Machine Learning Techniques and Tools and Provides Guidance on How to Implement Machine Learning Into Chemical Safety and Health-related Model Development There is a growing interest in the application of machine learning algorithms in chemical safety and health-related model development, with applications in areas including property and toxicity prediction, consequence prediction, and fault detection. This book is the first to review the current status of machine learning implementation in chemical safety and health research and to provide guidance for implementing machine learning techniques and algorithms into chemical safety and health research. Written by an international team of authors and edited by renowned experts in the areas of process safety and occupational and environmental health, sample topics covered within the work include: An introduction to the fundamentals of machine learning, including regression, classification and cross-validation, and an overview of software and tools Detailed reviews of various applications in the areas of chemical safety and health, including flammability prediction, consequence prediction, asset integrity management, predictive nanotoxicity and environmental exposure assessment, and more Perspective on the possible future development of this field Machine Learning in Chemical Safety and Health serves as an essential guide on both the fundamentals and applications of machine learning for industry professionals and researchers in the fields of process safety, chemical safety, occupational and environmental health, and industrial hygiene.
Author: Pedro W. Lamberti Publisher: MDPI ISBN: 3038977543 Category : Science Languages : en Pages : 188
Book Description
Since its conception 90 years ago, the quantum uncertainty principle introduced by Werner Heisenberg lies behind most important features of quantum physics, and its implications have an impact that goes far beyond the physics community. This book focuses on the quantum uncertainty principle, providing an up-to-date examination of recent developments of its applications in quantum information theory. The book brings together several renowned experts working in the foundations of quantum mechanics and quantum information theory. The authors provide different approaches to the study of uncertainty relations and other fundamental aspects of the quantum formalism. Topics addressed include entanglement and Bell inequalities, the application of entropic information measures to the study of uncertainty inequalities, the characterization of deep learning networks in the context of adiabatic quantum computation, and the study of general properties of the set of quantum states. The content of this book will surely benefit both experienced and new researchers specializing in quantum information theory and the foundations of quantum mechanics.
Author: N.B. Singh
Author: N.B. Singh
Author: Paul L. A. Popelier
Author: Pavlo O. Dral
Author: Sergio De Rosa
Author: 
Author: Catherine Sulem
Author: George Chapline
Author: Kristof T. Schütt
Author: Qingsheng Wang
Author: Pedro W. Lamberti