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Machine Learning In Materials Science
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Book Synopsis Machine Learning in Materials Science by : Keith T. Butler
Download or read book Machine Learning in Materials Science written by Keith T. Butler and published by American Chemical Society. This book was released on 2022-06-16 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine Learning for Materials Science provides the fundamentals and useful insight into where Machine Learning (ML) will have the greatest impact for the materials science researcher. This digital primer provides example methods for ML applied to experiments and simulations, including the early stages of building an ML solution for a materials science problem, concentrating on where and how to get data and some of the considerations when choosing an approach. The authors demonstrate how to build more robust models, how to make sure that your colleagues trust the results, and how to use ML to accelerate or augment simulations, by introducing methods in which ML can be applied to analyze and process experimental data. They also cover how to build integrated closed-loop experiments where ML is used to plan the course of a materials optimization experiment and how ML can be utilized in the discovery of materials on computers.
Book Synopsis Artificial Intelligence for Materials Science by : Yuan Cheng
Download or read book Artificial Intelligence for Materials Science written by Yuan Cheng and published by Springer Nature. This book was released on 2021-03-26 with total page 231 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Reviews in Computational Chemistry by : Abby L. Parrill
Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2016-03-09 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Machine Learning in 2D Materials Science by : Parvathi Chundi
Download or read book Machine Learning in 2D Materials Science written by Parvathi Chundi and published by CRC Press. This book was released on 2023-11-13 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Data science and machine learning (ML) methods are increasingly being used to transform the way research is being conducted in materials science to enable new discoveries and design new materials. For any materials science researcher or student, it may be daunting to figure out if ML techniques are useful for them or, if so, which ones are applicable in their individual contexts, and how to study the effectiveness of these methods systematically. KEY FEATURES • Provides broad coverage of data science and ML fundamentals to materials science researchers so that they can confidently leverage these techniques in their research projects. • Offers introductory material in topics such as ML, data integration, and 2D materials. • Provides in-depth coverage of current ML methods for validating 2D materials using both experimental and simulation data, researching and discovering new 2D materials, and enhancing ML methods with physical properties of materials. • Discusses customized ML methods for 2D materials data and applications and high-throughput data acquisition. • Describes several case studies illustrating how ML approaches are currently leading innovations in the discovery, development, manufacturing, and deployment of 2D materials needed for strengthening industrial products. • Gives future trends in ML for 2D materials, explainable AI, and dealing with extremely large and small, diverse datasets. Aimed at materials science researchers, this book allows readers to quickly, yet thoroughly, learn the ML and AI concepts needed to ascertain the applicability of ML methods in their research.
Download or read book Nanoinformatics written by Isao Tanaka and published by Springer. This book was released on 2018-01-15 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book brings out the state of the art on how informatics-based tools are used and expected to be used in nanomaterials research. There has been great progress in the area in which “big-data” generated by experiments or computations are fully utilized to accelerate discovery of new materials, key factors, and design rules. Data-intensive approaches play indispensable roles in advanced materials characterization. "Materials informatics" is the central paradigm in the new trend. "Nanoinformatics" is its essential subset, which focuses on nanostructures of materials such as surfaces, interfaces, dopants, and point defects, playing a critical role in determining materials properties. There have been significant advances in experimental and computational techniques to characterize individual atoms in nanostructures and to gain quantitative information. The collaboration of researchers in materials science and information science is growing actively and is creating a new trend in materials science and engineering.
Book Synopsis Machine Learning and Data Mining in Materials Science by : Norbert Huber
Download or read book Machine Learning and Data Mining in Materials Science written by Norbert Huber and published by Frontiers Media SA. This book was released on 2020-04-22 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Data-Driven Science and Engineering by : Steven L. Brunton
Download or read book Data-Driven Science and Engineering written by Steven L. Brunton and published by Cambridge University Press. This book was released on 2022-05-05 with total page 615 pages. Available in PDF, EPUB and Kindle. Book excerpt: A textbook covering data-science and machine learning methods for modelling and control in engineering and science, with Python and MATLAB®.
Book Synopsis Artificial Intelligence-Aided Materials Design by : Rajesh Jha
Download or read book Artificial Intelligence-Aided Materials Design written by Rajesh Jha and published by CRC Press. This book was released on 2022-03-15 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Machine Learning for Planetary Science by : Joern Helbert
Download or read book Machine Learning for Planetary Science written by Joern Helbert and published by Elsevier. This book was released on 2022-03-22 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine Learning for Planetary Science presents planetary scientists with a way to introduce machine learning into the research workflow as increasingly large nonlinear datasets are acquired from planetary exploration missions. The book explores research that leverages machine learning methods to enhance our scientific understanding of planetary data and serves as a guide for selecting the right methods and tools for solving a variety of everyday problems in planetary science using machine learning. Illustrating ways to employ machine learning in practice with case studies, the book is clearly organized into four parts to provide thorough context and easy navigation. The book covers a range of issues, from data analysis on the ground to data analysis onboard a spacecraft, and from prioritization of novel or interesting observations to enhanced missions planning. This book is therefore a key resource for planetary scientists working in data analysis, missions planning, and scientific observation. Includes links to a code repository for sharing codes and examples, some of which include executable Jupyter notebook files that can serve as tutorials Presents methods applicable to everyday problems faced by planetary scientists and sufficient for analyzing large datasets Serves as a guide for selecting the right method and tools for applying machine learning to particular analysis problems Utilizes case studies to illustrate how machine learning methods can be employed in practice
Book Synopsis Machine Learning in Industry by : Shubhabrata Datta
Download or read book Machine Learning in Industry written by Shubhabrata Datta and published by Springer Nature. This book was released on 2021-07-24 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers different machine learning techniques such as artificial neural network, support vector machine, rough set theory and deep learning. It points out the difference between the techniques and their suitability for specific applications. This book also describes different applications of machine learning techniques for industrial problems. The book includes several case studies, helping researchers in academia and industries aspiring to use machine learning for solving practical industrial problems.
Book Synopsis Machine Learning in Chemistry by : Jon Paul Janet
Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important
Book Synopsis Machine Learning in Chemistry by : Hugh M Cartwright
Download or read book Machine Learning in Chemistry written by Hugh M Cartwright and published by Royal Society of Chemistry. This book was released on 2020-07-15 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.
Book Synopsis Hands-On Mathematics for Deep Learning by : Jay Dawani
Download or read book Hands-On Mathematics for Deep Learning written by Jay Dawani and published by Packt Publishing Ltd. This book was released on 2020-06-12 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive guide to getting well-versed with the mathematical techniques for building modern deep learning architectures Key FeaturesUnderstand linear algebra, calculus, gradient algorithms, and other concepts essential for training deep neural networksLearn the mathematical concepts needed to understand how deep learning models functionUse deep learning for solving problems related to vision, image, text, and sequence applicationsBook Description Most programmers and data scientists struggle with mathematics, having either overlooked or forgotten core mathematical concepts. This book uses Python libraries to help you understand the math required to build deep learning (DL) models. You'll begin by learning about core mathematical and modern computational techniques used to design and implement DL algorithms. This book will cover essential topics, such as linear algebra, eigenvalues and eigenvectors, the singular value decomposition concept, and gradient algorithms, to help you understand how to train deep neural networks. Later chapters focus on important neural networks, such as the linear neural network and multilayer perceptrons, with a primary focus on helping you learn how each model works. As you advance, you will delve into the math used for regularization, multi-layered DL, forward propagation, optimization, and backpropagation techniques to understand what it takes to build full-fledged DL models. Finally, you’ll explore CNN, recurrent neural network (RNN), and GAN models and their application. By the end of this book, you'll have built a strong foundation in neural networks and DL mathematical concepts, which will help you to confidently research and build custom models in DL. What you will learnUnderstand the key mathematical concepts for building neural network modelsDiscover core multivariable calculus conceptsImprove the performance of deep learning models using optimization techniquesCover optimization algorithms, from basic stochastic gradient descent (SGD) to the advanced Adam optimizerUnderstand computational graphs and their importance in DLExplore the backpropagation algorithm to reduce output errorCover DL algorithms such as convolutional neural networks (CNNs), sequence models, and generative adversarial networks (GANs)Who this book is for This book is for data scientists, machine learning developers, aspiring deep learning developers, or anyone who wants to understand the foundation of deep learning by learning the math behind it. Working knowledge of the Python programming language and machine learning basics is required.
Book Synopsis Materials Discovery and Design by : Turab Lookman
Download or read book Materials Discovery and Design written by Turab Lookman and published by Springer. This book was released on 2018-09-22 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Machine Learning and Data Science in the Power Generation Industry by : Patrick Bangert
Download or read book Machine Learning and Data Science in the Power Generation Industry written by Patrick Bangert and published by Elsevier. This book was released on 2021-01-14 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine Learning and Data Science in the Power Generation Industry explores current best practices and quantifies the value-add in developing data-oriented computational programs in the power industry, with a particular focus on thoughtfully chosen real-world case studies. It provides a set of realistic pathways for organizations seeking to develop machine learning methods, with a discussion on data selection and curation as well as organizational implementation in terms of staffing and continuing operationalization. It articulates a body of case study–driven best practices, including renewable energy sources, the smart grid, and the finances around spot markets, and forecasting. Provides best practices on how to design and set up ML projects in power systems, including all nontechnological aspects necessary to be successful Explores implementation pathways, explaining key ML algorithms and approaches as well as the choices that must be made, how to make them, what outcomes may be expected, and how the data must be prepared for them Determines the specific data needs for the collection, processing, and operationalization of data within machine learning algorithms for power systems Accompanied by numerous supporting real-world case studies, providing practical evidence of both best practices and potential pitfalls
Book Synopsis Reviews in Computational Chemistry by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by Wiley-VCH Verlag GmbH. This book was released on 1995 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume in computational chemistry includes aspects of: theoretical chemistry, physical chemistry, computer graphics in chemistry, molecular structure, and pharmaceutical chemistry.
Book Synopsis Computational Technologies in Materials Science by : Shubham Tayal
Download or read book Computational Technologies in Materials Science written by Shubham Tayal and published by CRC Press. This book was released on 2021-10-06 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt: • Covers material testing and development using computational intelligence • Highlights the technologies to integrate computational intelligence and materials sciences • Discusses how computational tools can generate new materials with advanced applications • Details case studies and detailed applications • Investigates challenges in developing and using computational intelligence in materials science • Analyzes historic changes that are taking place in designing of materials
