Accelerating Materials Discovery With Machine Learning

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Accelerated Materials Discovery
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Author : Phil De Luna
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2022-02-21
Accelerated Materials Discovery written by Phil De Luna and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-21 with Computers categories.
Typical timelines to go from discovery to impact in the advanced materials sector are between 10 to 30 years. Advances in robotics and artificial intelligence are poised to accelerate the discovery and development of new materials dramatically. This book is a primer for any materials scientist looking to future-proof their careers and get ahead of the disruption that artificial intelligence and robotic automation is just starting to unleash. It is meant to be an overview of how we can use these disruptive technologies to augment and supercharge our abilities to discover new materials that will solve world’s biggest challenges. Written by world leading experts on accelerated materials discovery from academia (UC Berkeley, Caltech, UBC, Cornell, etc.), industry (Toyota Research Institute, Citrine Informatics) and national labs (National Research Council of Canada, Lawrence Berkeley National Labs).
Accelerating Materials Discovery With Machine Learning
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Author : Rhys Goodall
language : en
Publisher:
Release Date : 2021
Accelerating Materials Discovery With Machine Learning written by Rhys Goodall and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021 with categories.
Accelerated Materials Discovery
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Author : Phil De Luna
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2022-02-21
Accelerated Materials Discovery written by Phil De Luna and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-21 with Computers categories.
Typical timelines to go from discovery to impact in the advanced materials sector are between 10 to 30 years. Advances in robotics and artificial intelligence are poised to accelerate the discovery and development of new materials dramatically. This book is a primer for any materials scientist looking to future-proof their careers and get ahead of the disruption that artificial intelligence and robotic automation is just starting to unleash. It is meant to be an overview of how we can use these disruptive technologies to augment and supercharge our abilities to discover new materials that will solve world’s biggest challenges. Written by world leading experts on accelerated materials discovery from academia (UC Berkeley, Caltech, UBC, Cornell, etc.), industry (Toyota Research Institute, Citrine Informatics) and national labs (National Research Council of Canada, Lawrence Berkeley National Labs).
Machine Learning For Materials Discovery
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Author : N. M. Anoop Krishnan
language : en
Publisher: Springer Nature
Release Date : 2024-05-06
Machine Learning For Materials Discovery written by N. M. Anoop Krishnan and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-05-06 with Technology & Engineering categories.
Focusing on the fundamentals of machine learning, this book covers broad areas of data-driven modeling, ranging from simple regression to advanced machine learning and optimization methods for applications in materials modeling and discovery. The book explains complex mathematical concepts in a lucid manner to ensure that readers from different materials domains are able to use these techniques successfully. A unique feature of this book is its hands-on aspect—each method presented herein is accompanied by a code that implements the method in open-source platforms such as Python. This book is thus aimed at graduate students, researchers, and engineers to enable the use of data-driven methods for understanding and accelerating the discovery of novel materials.
Artificial Intelligence For Materials Science
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Author : Yuan Cheng
language : en
Publisher: Springer Nature
Release Date : 2021-03-26
Artificial Intelligence For Materials Science written by Yuan Cheng and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-26 with Technology & Engineering categories.
Machine learning methods have lowered the cost of exploring new structures of unknown compounds, and can be used to predict reasonable expectations and subsequently validated by experimental results. As new insights and several elaborative tools have been developed for materials science and engineering in recent years, it is an appropriate time to present a book covering recent progress in this field. Searchable and interactive databases can promote research on emerging materials. Recently, databases containing a large number of high-quality materials properties for new advanced materials discovery have been developed. These approaches are set to make a significant impact on human life and, with numerous commercial developments emerging, will become a major academic topic in the coming years. This authoritative and comprehensive book will be of interest to both existing researchers in this field as well as others in the materials science community who wish to take advantage of these powerful techniques. The book offers a global spread of authors, from USA, Canada, UK, Japan, France, Russia, China and Singapore, who are all world recognized experts in their separate areas. With content relevant to both academic and commercial points of view, and offering an accessible overview of recent progress and potential future directions, the book will interest graduate students, postgraduate researchers, and consultants and industrial engineers.
Knowledge Guided Machine Learning
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Author : Anuj Karpatne
language : en
Publisher: CRC Press
Release Date : 2022-08-15
Knowledge Guided Machine Learning written by Anuj Karpatne and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-08-15 with Business & Economics categories.
Given their tremendous success in commercial applications, machine learning (ML) models are increasingly being considered as alternatives to science-based models in many disciplines. Yet, these "black-box" ML models have found limited success due to their inability to work well in the presence of limited training data and generalize to unseen scenarios. As a result, there is a growing interest in the scientific community on creating a new generation of methods that integrate scientific knowledge in ML frameworks. This emerging field, called scientific knowledge-guided ML (KGML), seeks a distinct departure from existing "data-only" or "scientific knowledge-only" methods to use knowledge and data at an equal footing. Indeed, KGML involves diverse scientific and ML communities, where researchers and practitioners from various backgrounds and application domains are continually adding richness to the problem formulations and research methods in this emerging field. Knowledge Guided Machine Learning: Accelerating Discovery using Scientific Knowledge and Data provides an introduction to this rapidly growing field by discussing some of the common themes of research in KGML using illustrative examples, case studies, and reviews from diverse application domains and research communities as book chapters by leading researchers. KEY FEATURES First-of-its-kind book in an emerging area of research that is gaining widespread attention in the scientific and data science fields Accessible to a broad audience in data science and scientific and engineering fields Provides a coherent organizational structure to the problem formulations and research methods in the emerging field of KGML using illustrative examples from diverse application domains Contains chapters by leading researchers, which illustrate the cutting-edge research trends, opportunities, and challenges in KGML research from multiple perspectives Enables cross-pollination of KGML problem formulations and research methods across disciplines Highlights critical gaps that require further investigation by the broader community of researchers and practitioners to realize the full potential of KGML
Deep Learning For Physical Scientists
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Author : Edward O. Pyzer-Knapp
language : en
Publisher: John Wiley & Sons
Release Date : 2021-09-21
Deep Learning For Physical Scientists written by Edward O. Pyzer-Knapp and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-21 with Science categories.
Discover the power of machine learning in the physical sciences with this one-stop resource from a leading voice in the field Deep Learning for Physical Scientists: Accelerating Research with Machine Learning delivers an insightful analysis of the transformative techniques being used in deep learning within the physical sciences. The book offers readers the ability to understand, select, and apply the best deep learning techniques for their individual research problem and interpret the outcome. Designed to teach researchers to think in useful new ways about how to achieve results in their research, the book provides scientists with new avenues to attack problems and avoid common pitfalls and problems. Practical case studies and problems are presented, giving readers an opportunity to put what they have learned into practice, with exemplar coding approaches provided to assist the reader. From modelling basics to feed-forward networks, the book offers a broad cross-section of machine learning techniques to improve physical science research. Readers will also enjoy: A thorough introduction to the basic classification and regression with perceptrons An exploration of training algorithms, including back propagation and stochastic gradient descent and the parallelization of training An examination of multi-layer perceptrons for learning from descriptors and de-noising data Discussions of recurrent neural networks for learning from sequences and convolutional neural networks for learning from images A treatment of Bayesian optimization for tuning deep learning architectures Perfect for academic and industrial research professionals in the physical sciences, Deep Learning for Physical Scientists: Accelerating Research with Machine Learning will also earn a place in the libraries of industrial researchers who have access to large amounts of data but have yet to learn the techniques to fully exploit that access.
Accelerating Materials Discovery For Optical Applications Using Machine Learning Natural Language Processing And Density Functional Theory
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Author : Jiuyang Zhao
language : en
Publisher:
Release Date : 2022
Accelerating Materials Discovery For Optical Applications Using Machine Learning Natural Language Processing And Density Functional Theory written by Jiuyang Zhao and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022 with categories.
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Machine Learning Augmented Spectroscopies For Intelligent Materials Design
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Author : Nina Andrejevic
language : en
Publisher: Springer Nature
Release Date : 2022-10-06
Machine Learning Augmented Spectroscopies For Intelligent Materials Design written by Nina Andrejevic and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-06 with Science categories.
The thesis contains several pioneering results at the intersection of state-of-the-art materials characterization techniques and machine learning. The use of machine learning empowers the information extraction capability of neutron and photon spectroscopies. In particular, new knowledge and new physics insights to aid spectroscopic analysis may hold great promise for next-generation quantum technology. As a prominent example, the so-called proximity effect at topological material interfaces promises to enable spintronics without energy dissipation and quantum computing with fault tolerance, yet the characteristic spectral features to identify the proximity effect have long been elusive. The work presented within permits a fine resolution of its spectroscopic features and a determination of the proximity effect which could aid further experiments with improved interpretability. A few novel machine learning architectures are proposed in this thesis work which leverage the case when the data is scarce and utilize the internal symmetry of the system to improve the training quality. The work sheds light on future pathways to apply machine learning to augment experiments.
Computational Materials Discovery
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Author : Artem R Oganov
language : en
Publisher: Royal Society of Chemistry
Release Date : 2018-10-30
Computational Materials Discovery written by Artem R Oganov and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-30 with Science categories.
New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem means that the computational design of materials is now a reality. Computational Materials Discovery provides a comprehensive review of this field covering different computational methodologies as well as specific applications of materials design. The book starts by illustrating how and why first-principle calculations have gained importance in the process of materials discovery. The book is then split into three sections, the first exploring different approaches and ideas including crystal structure prediction from evolutionary approaches, data mining methods and applications of machine learning. Section two then looks at examples of designing specific functional materials with special technological relevance for example photovoltaic materials, superconducting materials, topological insulators and thermoelectric materials. The final section considers recent developments in creating low-dimensional materials. With contributions from pioneers and leaders in the field, this unique and timely book provides a convenient entry point for graduate students, researchers and industrial scientists on both the methodologies and applications of the computational design of materials.