Download or read book Machine Learning for Polymer Informatics written by Ying Li and published by American Chemical Society. This book was released on 2024-06-28 with total page 167 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine learning has significantly accelerated the development of new polymer materials. Machine Learning for Polymer Informatics introduces the reader to the most popular ways of applying machine learning in polymer informatics. This primer will equip the reader to ask the right questions about the application of machine learning in their areas of interest, as well as critically interpret publications leveraging machine learning methods. The authors encourage readers to try machine learning techniques when they have sufficient data in their area of interest. The development of machine learning has far exceeded human imagination, and with sufficient data, everything is full of possibilities.
Download or read book Advanced Machine Learning with Evolutionary and Metaheuristic Techniques written by Jayaraman Valadi and published by Springer Nature. This book was released on with total page 365 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Machine Learning in Materials Informatics written by Yuling An and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is about machine learning in materials informatics
Download or read book Computational Materials Discovery written by Artem Oganov and published by Royal Society of Chemistry. This book was released on 2018-10-30 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Machine Learning Meets Quantum Physics written by Kristof T. Schütt and published by Springer Nature. This book was released on 2020-06-03 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Handbook On Big Data And Machine Learning In The Physical Sciences In 2 Volumes written by and published by World Scientific. This book was released on 2020-03-10 with total page 1001 pages. Available in PDF, EPUB and Kindle. Book excerpt: This compendium provides a comprehensive collection of the emergent applications of big data, machine learning, and artificial intelligence technologies to present day physical sciences ranging from materials theory and imaging to predictive synthesis and automated research. This area of research is among the most rapidly developing in the last several years in areas spanning materials science, chemistry, and condensed matter physics.Written by world renowned researchers, the compilation of two authoritative volumes provides a distinct summary of the modern advances in instrument — driven data generation and analytics, establishing the links between the big data and predictive theories, and outlining the emerging field of data and physics-driven predictive and autonomous systems.
Download or read book The Substance of Civilization written by Stephen L. Sass and published by Skyhorse Publishing Inc.. This book was released on 2011-08 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Demonstrates the way in which the discovery, application, and adaptation of materials has shaped the course of human history and the routines of our daily existence.
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
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.
Download or read book Advanced Polymer Structures written by Omar Mukbaniani and published by CRC Press. This book was released on 2023-10-06 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Taking an interdisciplinary approach, this new book considers state-of-the-art developments and research in polymer science, such as advanced polymers, composites and nanocomposites, and the role of polymers in the progress of green chemistry and medicine. Polymers are studied in fields as diverse as polymer science (polymer chemistry and polymer physics), biophysics, biochemistry, and more generally in materials science and engineering. Polymer matrix composites (PMCs) and nanocomposites (PMNCs) are widely used in hightech material structures such as in the automotive, marine, and aerospace industries. Their impact on the physical and mechanical performance is mainly due to their reinforcing agents, fibers (glass, carbon, aramid) or nanofibers (MMT, CNTs, graphene, etc) but also due to a perfect mastery of the matrix/reinforcement interface.
Download or read book Recent Advances in Smart Self Healing Polymers and Composites written by Guoqiang Li and published by Woodhead Publishing. This book was released on 2022-06-08 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: There have been many new developments since the first edition of this book was published back in 2015. These can be summarized as follows: integration of multiple properties into self-healing polymer materials, such as the shape memory effect and flame retardancy; beyond self-healing and the development of recyclable thermoset polymers; and the application of self-healing polymers in both 3D and 4D printing. Recent Advances in Smart Self-healing Polymers and Composites, Second Edition provides a comprehensive introduction to the fascinating field of smart self-healing polymers and composites. All chapters are brought fully-up-to-date with the addition of six brand new contributions on the characterization of self-healing polymers, light-triggered self-healing, additive manufacturing, multifunctional thermoset polymers with self-healing ability, and recyclable thermoset polymers and 4D printing. It is written for a large readership including not only R&D researchers from diverse backgrounds such as chemistry, materials science, aerospace, physics, and biological science, but also for graduate student working on self-healing technologies as well as their newly developed applications. Features new chapters on characterization of self-healing polymers, light-triggered self-healing, additive manufacturing, multifunctional thermoset polymers with self-healing ability, recyclable thermoset polymers and 4D printing All chapters have been significantly updated from the previous edition Provides a grounding in all key areas of research to bring people up to speed with the latest developments
Download or read book Explainable AI XAI for Sustainable Development written by Lakshmi D and published by CRC Press. This book was released on 2024-06-26 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents innovative research works to automate, innovate, design, and deploy AI fo real-world applications. It discusses AI applications in major cutting-edge technologies and details about deployment solutions for different applications for sustainable development. The application of Blockchain techniques illustrates the ways of optimisation algorithms in this book. The challenges associated with AI deployment are also discussed in detail, and edge computing with machine learning solutions is explained. This book provides multi-domain applications of AI to the readers to help find innovative methods towards the business, sustainability, and customer outreach paradigms in the AI domain. • Focuses on virtual machine placement and migration techniques for cloud data centres • Presents the role of machine learning and meta-heuristic approaches for optimisation in cloud computing services • Includes application of placement techniques for quality of service, performance, and reliability improvement • Explores data centre resource management, load balancing and orchestration using machine learning techniques • Analyses dynamic and scalable resource scheduling with a focus on resource management The reference work is for postgraduate students, professionals, and academic researchers in computer science and information technology.
Download or read book Data Based Methods for Materials Design and Discovery written by Ghanshyam Pilania and published by Springer Nature. This book was released on 2022-05-31 with total page 172 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine learning methods are changing the way we design and discover new materials. This book provides an overview of approaches successfully used in addressing materials problems (alloys, ferroelectrics, dielectrics) with a focus on probabilistic methods, such as Gaussian processes, to accurately estimate density functions. The authors, who have extensive experience in this interdisciplinary field, discuss generalizations where more than one competing material property is involved or data with differing degrees of precision/costs or fidelity/expense needs to be considered.
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:
Download or read book An Introduction to Materials Informatics written by Tongyi Zhang and published by Springer. This book was released on 2024-02-20 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook educates current and future materials workers, engineers, and researchers on Materials Informatics. Volume I serves as an introduction, merging AI, ML, materials science, and engineering. It covers essential topics and algorithms in 11 chapters, including Linear Regression, Neural Networks, and more. Suitable for diverse fields like materials science, physics, and chemistry, it enables quick and easy learning of Materials Informatics for readers without prior AI and ML knowledge.
Download or read book Ecotoxicological QSARs written by Kunal Roy and published by Humana. This book was released on 2021-01-31 with total page 830 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume focuses on computational modeling of the ecotoxicity of chemicals and presents applications of quantitative structure–activity relationship models (QSARs) in the predictive toxicology field in a regulatory context. The extensive book covers a variety of protocols for descriptor computation, data curation, feature selection, learning algorithms, validation of models, applicability domain assessment, confidence estimation for predictions, and much more, as well as case studies and literature reviews on a number of hot topics. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical advice that is essential for researchers everywhere. Authoritative and comprehensive, Ecotoxicological QSARs is an ideal source to update readers in the field with current practices and introduce to them new developments and should therefore be very useful for researchers in academia, industries, and regulatory bodies.
Download or read book Polymer Libraries written by Michael A. R. Meier and published by Springer Science & Business Media. This book was released on 2010-05-21 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is truly an exciting time to be in the ?eld of polymer science. Advances in polymerization methods are providing polymer scientists with the ability to specify and control polymer composition, structure, architecture, and molecular weight to a degree that was not possible just a decade ago. This, in turn, is resulting in many novel application possibilities of polymers ranging from drug delivery systems and nanolithographyto stimuli-responsivematerials and many others. In addition,many of the application areas of polymers – such as coatings, adhesives, thermoplastics, composites, and personal care – are also taking advantage of the ability to design polymersduringtheir developmentefforts. Not to forget,manyof these applications of polymers involve mixing polymers with solvents, catalysts, colorants, and many other ingredients to prepare a formulated product. However, the tuning of polymer composition and structure as well as polymer formulations to optimize the ?nal performance properties can be challenging, - pecially since in many cases several interacting variables need to be optimized simultaneously. This is where the methodologies and techniques of combinatorial and high-throughput experimentation to synthesize and characterize polymer - braries can be an invaluable approach. Simply put, a polymer library is a collection of multiple polymer samples having a systematic variation in one or more variables related to composition, structure, or process. Various methods and strategies have been explored to ef?ciently prepare a large number of polymer samples and also to screen these samples for key properties of interest.
