Artificial Intelligence for Materials Science PDF Download

Author: Yuan Cheng
Publisher: Springer Nature
ISBN: 3030683109
Category : Technology & Engineering
Languages : en
Pages : 231

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Book Description
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.

Author: Rajesh Jha
Publisher: CRC Press
ISBN: 1000541339
Category : Technology & Engineering
Languages : en
Pages : 363

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Book Description
This book describes the application of artificial intelligence (AI)/machine learning (ML) concepts to develop predictive models that can be used to design alloy materials, including hard and soft magnetic alloys, nickel-base superalloys, titanium-base alloys, and aluminum-base alloys. Readers new to AI/ML algorithms can use this book as a starting point and use the MATLAB® and Python implementation of AI/ML algorithms through included case studies. Experienced AI/ML researchers who want to try new algorithms can use this book and study the case studies for reference. Offers advantages and limitations of several AI concepts and their proper implementation in various data types generated through experiments and computer simulations and from industries in different file formats Helps readers to develop predictive models through AI/ML algorithms by writing their own computer code or using resources where they do not have to write code Covers downloadable resources such as MATLAB GUI/APP and Python implementation that can be used on common mobile devices Discusses the CALPHAD approach and ways to use data generated from it Features a chapter on metallurgical/materials concepts to help readers understand the case studies and thus proper implementation of AI/ML algorithms under the framework of data-driven materials science Uses case studies to examine the importance of using unsupervised machine learning algorithms in determining patterns in datasets This book is written for materials scientists and metallurgists interested in the application of AI, ML, and data science in the development of new materials.

Author: Turab Lookman
Publisher: Springer
ISBN: 3319994654
Category : Science
Languages : en
Pages : 266

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Book Description
This book addresses the current status, challenges and future directions of data-driven materials discovery and design. It presents the analysis and learning from data as a key theme in many science and cyber related applications. The challenging open questions as well as future directions in the application of data science to materials problems are sketched. Computational and experimental facilities today generate vast amounts of data at an unprecedented rate. The book gives guidance to discover new knowledge that enables materials innovation to address grand challenges in energy, environment and security, the clearer link needed between the data from these facilities and the theory and underlying science. The role of inference and optimization methods in distilling the data and constraining predictions using insights and results from theory is key to achieving the desired goals of real time analysis and feedback. Thus, the importance of this book lies in emphasizing that the full value of knowledge driven discovery using data can only be realized by integrating statistical and information sciences with materials science, which is increasingly dependent on high throughput and large scale computational and experimental data gathering efforts. This is especially the case as we enter a new era of big data in materials science with the planning of future experimental facilities such as the Linac Coherent Light Source at Stanford (LCLS-II), the European X-ray Free Electron Laser (EXFEL) and MaRIE (Matter Radiation in Extremes), the signature concept facility from Los Alamos National Laboratory. These facilities are expected to generate hundreds of terabytes to several petabytes of in situ spatially and temporally resolved data per sample. The questions that then arise include how we can learn from the data to accelerate the processing and analysis of reconstructed microstructure, rapidly map spatially resolved properties from high throughput data, devise diagnostics for pattern detection, and guide experiments towards desired targeted properties. The authors are an interdisciplinary group of leading experts who bring the excitement of the nascent and rapidly emerging field of materials informatics to the reader.

Author: Abby L. Parrill
Publisher: John Wiley & Sons
ISBN: 1119103932
Category : Science
Languages : en
Pages : 486

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Book Description
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 29 include: Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials Science: Recent Progress and Emerging Applications Discovering New Materials via a priori Crystal Structure Prediction Introduction to Maximally Localized Wannier Functions Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding

Author: Yuebing Zheng
Publisher: Elsevier
ISBN: 0323901417
Category : Technology & Engineering
Languages : en
Pages : 444

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Book Description
Intelligent Nanotechnology: Merging Nanoscience and Artificial Intelligence provides an overview of advances in science and technology made possible by the convergence of nanotechnology and artificial intelligence (AI). Sections focus on AI-enhanced design, characterization and manufacturing and the use of AI to improve important material properties, with an emphasis on mechanical, photonic, electronic and magnetic properties. Designing benign nanomaterials through the prediction of their impact on biology and the environment is also discussed. Other sections cover the use of AI in the acquisition and analysis of data in experiments and AI technologies that have been enhanced through nanotechnology platforms. Final sections review advances in applications enabled by the merging of nanotechnology and artificial intelligence, including examples from biomedicine, chemistry and automated research. - Includes recent advances on AI-enhanced design, characterization and the manufacturing of nanomaterials - Reviews AI technologies that have been enabled by nanotechnology - Discusses potentially world-changing applications that could ensue as a result of merging these two fields

Author: Yoshiki Oshida
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110717859
Category : Technology & Engineering
Languages : en
Pages : 520

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Book Description
The use of artificial intelligence (AI) in various fields is of major importance to improve the use of resourses and time. This book provides an analysis of how AI is used in both the medical field and beyond. Topics that will be covered are bioinformatics, biostatistics, dentistry, diagnosis and prognosis, smart materials, and drug discovery as they intersect with AI. Also, an outlook of the future of an AI-assisted society will be explored.

Author: Neeraj Mohan
Publisher: CRC Press
ISBN: 1000460525
Category : Computers
Languages : en
Pages : 311

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Book Description
This book provides a comprehensive, conceptual, and detailed overview of the wide range of applications of Artificial Intelligence, Machine Learning, and Data Science and how these technologies have an impact on various domains such as healthcare, business, industry, security, and how all countries around the world are feeling this impact. The book aims at low-cost solutions which could be implemented even in developing countries. It highlights the significant impact these technologies have on various industries and on us as humans. It provides a virtual picture of forthcoming better human life shadowed by the new technologies and their applications and discusses the impact Data Science has on business applications. The book will also include an overview of the different AI applications and their correlation between each other. The audience is graduate and postgraduate students, researchers, academicians, institutions, and professionals who are interested in exploring key technologies like Artificial Intelligence, Machine Learning, and Data Science.

Author: Ajay Agrawal
Publisher: University of Chicago Press
ISBN: 0226833127
Category : Business & Economics
Languages : en
Pages : 172

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Book Description
A timely investigation of the potential economic effects, both realized and unrealized, of artificial intelligence within the United States healthcare system. In sweeping conversations about the impact of artificial intelligence on many sectors of the economy, healthcare has received relatively little attention. Yet it seems unlikely that an industry that represents nearly one-fifth of the economy could escape the efficiency and cost-driven disruptions of AI. The Economics of Artificial Intelligence: Health Care Challenges brings together contributions from health economists, physicians, philosophers, and scholars in law, public health, and machine learning to identify the primary barriers to entry of AI in the healthcare sector. Across original papers and in wide-ranging responses, the contributors analyze barriers of four types: incentives, management, data availability, and regulation. They also suggest that AI has the potential to improve outcomes and lower costs. Understanding both the benefits of and barriers to AI adoption is essential for designing policies that will affect the evolution of the healthcare system.

Author: Kenny B. Lipkowitz
Publisher: Wiley-VCH Verlag GmbH
ISBN: 9781560819158
Category : Chemistry
Languages : en
Pages : 414

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Book Description
This volume in computational chemistry includes aspects of: theoretical chemistry, physical chemistry, computer graphics in chemistry, molecular structure, and pharmaceutical chemistry.

Author: Sidney Yip
Publisher: Springer Science & Business Media
ISBN: 1402032862
Category : Science
Languages : en
Pages : 2903

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Book Description
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.