Data Based Methods For Materials Design And Discovery
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Data Based Methods For Materials Design And Discovery
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Author : Ghanshyam Pilania
language : en
Publisher: Springer Nature
Release Date : 2022-05-31
Data Based Methods For Materials Design And Discovery written by Ghanshyam Pilania and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-31 with Science categories.
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.
Data Based Methods For Materials Design And Discovery
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Author : Ghanshyam Pilania
language : en
Publisher: Morgan & Claypool Publishers
Release Date : 2020-03-06
Data Based Methods For Materials Design And Discovery written by Ghanshyam Pilania and has been published by Morgan & Claypool Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-06 with Technology & Engineering categories.
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.
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.
Materials Informatics
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Author : Olexandr Isayev
language : en
Publisher: John Wiley & Sons
Release Date : 2019-12-04
Materials Informatics written by Olexandr Isayev 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 2019-12-04 with Technology & Engineering categories.
Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics.
Multifunctional Metasurfaces
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Author : He-Xiu Xu
language : en
Publisher: Springer Nature
Release Date : 2022-06-01
Multifunctional Metasurfaces written by He-Xiu Xu and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-01 with Science categories.
In recent years, we have witnessed a rapid expansion of using super-thin metasurfaces to manipulate light or electromagnetic wave in a subwavelength scale. However, most designs are confined to a passive scheme and monofunctional operation, which hinders considerably the promising applications of the metasurfaces. Specifically, the tunable and multifunctional metasurfaces enable to facilitate switchable functionalities and multiple functionalities which are extremely essential and useful for integrated optics and microwaves, well alleviating aforementioned issues. In this book, we introduce our efforts in exploring the physics principles, design approaches, and numerical and experimental demonstrations on the fascinating functionalities realized. We start by introducing in Chapter 2 the "merging" scheme in constructing multi-functional metadevices, paying particular attention to its shortcomings issues. Having understood the merits and disadvantages of the "merging" scheme, we then introduce in Chapter 3 another approach to realize bifunctional metadevices under linearly polarized excitations, working in both reflection and transmission geometries or even in the full space. As a step further, we summarizes our efforts in Chapter 4 on making multifunctional devices under circularly polarized excitations, again including designing principles and devices fabrications/characterizations. Starting from Chapter 5, we turn to introduce our efforts on using the "active" scheme to construct multifunctional metadevices under linearly polarized wave operation. Chapter 6 further concentrates on how to employ the tunable strategy to achieve helicity/frequency controls of the circularly polarized waves in reflection geometry. We finally conclude this book in Chapter 7 by presenting our perspectives on future directions of metasurfaces and metadevices.
Introduction To Optics I
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Author : Ksenia Dolgaleva
language : en
Publisher: Springer Nature
Release Date : 2022-05-31
Introduction To Optics I written by Ksenia Dolgaleva and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-31 with Science categories.
This book, Introduction to Optics I: Interaction of Light with Matter, is the first book in a series of four covering the introduction to optics and optical components. The author's targeted goal for this series is to provide clarity for the reader by addressing common difficulties encountered while trying to understand various optics concepts. This first book is organized and written in a way that is easy to follow, and is meant to be an excellent first book on optics, eventually leading the way for further study. Those with technical backgrounds as well as undergraduate students studying optics for the first time can benefit from this book series. The current book includes three chapters on light and its characteristics (Chapter 1), on matter from the standpoint of optics (Chapter 2), and on the interaction of light with matter (Chapter 3). Among the characteristics of light, the ones characterizing its speed, color, and strength are covered. The polarization of light will be covered in the next book of the series, where we discuss optical components. Chapter 2 discusses various atomic and molecular transitions activated by light (optical transitions). Different kinds of natural bulk material media are described: crystalline and amorphous, atomic and molecular, conductive and insulating. Chapter 3 on the interaction of light with matter describes naturally occurring phenomena such as absorption, dispersion, and nonlinear optical interactions. The discussion is provided for the natural bulk optical materials only. The interfaces between various materials will be covered in the next book on optical components. The following three books of the series are planned as follows. In the second book, we will focus on passive optical components such as lenses, mirrors, guided-wave, and polarization optical devices. In the third book, we will discuss laser sources and optical amplifiers. Finally, the fourth book in the series will cover optoelectronic devices, such as semiconductor light sources and detectors.
Atomically Precise Metal Nanoclusters
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Author : Zhikun Wu
language : en
Publisher: Springer Nature
Release Date : 2022-06-01
Atomically Precise Metal Nanoclusters written by Zhikun Wu and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-01 with Science categories.
Atomically precise metal nanocluster research has emerged as a new frontier. This book serves as an introduction to metal nanoclusters protected by ligands. The authors have summarized the synthesis principles and methods, the characterization methods and new physicochemical properties, and some potential applications. By pursuing atomic precision, such nanocluster materials provide unprecedented opportunities for establishing precise relationships between the atomic-level structures and the properties. The book should be accessible to senior undergraduate and graduate students, researchers in various fields (e.g., chemistry, physics, materials, biomedicine, and engineering), R&D scientists, and science policy makers.
Singlet Oxygen Detection And Imaging
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Author : Steffen Hackbarth
language : en
Publisher: Morgan & Claypool Publishers
Release Date : 2021-03-25
Singlet Oxygen Detection And Imaging written by Steffen Hackbarth and has been published by Morgan & Claypool Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-25 with Science categories.
Singlet Oxygen, the lowest electronically excited state of molecular oxygen, is highly reactive and involved in many chemical and biological processes. It is one major mediator during photosensitization, which has been used by mankind since ancient times, even though the mechanisms behind it were understood only about half a century ago. The combination of high reactivity and very long natural lifetime allows for direct optical detection of singlet oxygen and its interactions using its characteristic phosphorescence at around 1270 nm. Since this emission is very weak, optical detection was technically very challenging for a long time. Therefore, even today, most laboratories only exploit the high reactivity to observe the interaction with sensor molecules, rather than singlet oxygen emission itself. However, in recent years highly sensitive optical detection was developed, the authors being major contributors. This book is dedicated to the detection of singlet oxygen, discussing possibilities, pitfalls and limits of the various methods with a special focus on time-resolved phosphorescence and the kinetics of singlet oxygen generation and decay including involved and related processes, discussing investigated systems with various complexity from solutions over in vitro to in vivo. The long-standing paradigm that singlet oxygen phosphorescence is a benchmark for detection systems rather than an option for process observation is still ubiquitous and this book hopes to contribute in overcoming this still prevailing bias.
Introduction To Photonic And Phononic Crystals And Metamaterials
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Author : Arthur R. McGurn
language : en
Publisher: Morgan & Claypool Publishers
Release Date : 2020-04-07
Introduction To Photonic And Phononic Crystals And Metamaterials written by Arthur R. McGurn and has been published by Morgan & Claypool Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-04-07 with Technology & Engineering categories.
Introduction to Photonic and Phononic Crystals and Metamaterials, by Arthur R. McGurn, presents a study of the fundamental properties of optical and acoustic materials which have been of recent interest in nanoscience and device technology. The level of the presentations is appropriate for advanced undergraduates, beginning graduate students, and researchers not directly involved in the field. References are given to guide the reader to more advanced study in these fields. Discussions of the physics of photonic and phononic crystals focus on the transmission properties of optical and acoustic radiation arising from their diffractive interaction in these engineered materials. The frequency transmission and non-transmission bands of radiation are explained in terms of the symmetry properties of the photonic and phononic artificial crystal structures. Basic applications of these properties to a variety of their technological applications are examined. The physics of metamaterials is discussed along with their relationships to the ideas of resonance. Properties of negative index of refraction, perfect lens, and unusual optical effects the new optics of metamaterial media makes available are examined. Related effects in acoustics are also covered. Basic principles of surface acoustic and electromagnetic waves are explained. These form an introduction to the fundamental ideas of the recently developing fields of plasmonics and surface acoustics.
Ai Guided Design And Property Prediction For Zeolites And Nanoporous Materials
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Author : German Sastre
language : en
Publisher: John Wiley & Sons
Release Date : 2023-01-30
Ai Guided Design And Property Prediction For Zeolites And Nanoporous Materials written by German Sastre 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 2023-01-30 with Science categories.
AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials A cohesive and insightful compilation of resources explaining the latest discoveries and methods in the field of nanoporous materials In Artificial Intelligence for Zeolites and Nanoporous Materials: Design, Synthesis and Properties Prediction a team of distinguished researchers delivers a robust compilation of the latest knowledge and most recent developments in computational chemistry, synthetic chemistry, and artificial intelligence as it applies to zeolites, porous molecular materials, covalent organic frameworks and metal-organic frameworks. The book presents a common language that unifies these fields of research and advances the discovery of new nanoporous materials. The editors have included resources that describe strategies to synthesize new nanoporous materials, construct databases of materials, structure directing agents, and synthesis conditions, and explain computational methods to generate new materials. They also offer material that discusses AI and machine learning algorithms, as well as other, similar approaches to the field. Readers will also find a comprehensive approach to artificial intelligence applied to and written in the language of materials chemistry, guiding the reader through the fundamental questions on how far computer algorithms and numerical representations can drive our search of new nanoporous materials for specific applications. Designed for academic researchers and industry professionals with an interest in synthetic nanoporous materials chemistry, Artificial Intelligence for Zeolites and Nanoporous Materials: Design, Synthesis and Properties Prediction will also earn a place in the libraries of professionals working in large energy, chemical, and biochemical companies with responsibilities related to the design of new nanoporous materials.