Machine Learning In 2d Materials Science

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Machine Learning in 2D Materials Science

Author : Parvathi Chundi
Publisher : CRC Press
ISBN 13 : 1000987434
Total Pages : 249 pages
Book Rating : 4.0/5 (9 download)

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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.

Reviews in Computational Chemistry, Volume 29

Author : Abby L. Parrill
Publisher : John Wiley & Sons
ISBN 13 : 1119103932
Total Pages : 486 pages
Book Rating : 4.1/5 (191 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 29 by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry, Volume 29 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2016-04-11 with total page 486 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

Artificial Intelligence-aided Synthesis and Characterization of 2D Materials

Author : Ang-Yu Lu
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (14 download)

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Book Synopsis Artificial Intelligence-aided Synthesis and Characterization of 2D Materials by : Ang-Yu Lu

Download or read book Artificial Intelligence-aided Synthesis and Characterization of 2D Materials written by Ang-Yu Lu and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Semiconductor chips serve as the fundamental building blocks of modern electronics and form the core of artificial intelligence systems. However, as the technology node approaches the physical limitation for Si, significant scattering in the channel, current leakage and performance degradation will prevent further device scaling down. To address this challenge, two-dimensional (2D) materials have emerged as promising candidates for next-generation transistors, to maintain the pace of Moore's Law-doubling the number of transistors every 18 months. The integration of AI and automation in material science has recently drawn significant attention, offering the potential to expedite and enhance material development processes. This thesis aims to develop an autonomous platform to accelerate 2D material synthesis with four distinct projects. First, we employ named entity recognition (NER) and extractive question-answering (EQA) models to extract experimental recipes, including categorical and numerical data, illustrating how to trace the trajectories within a single material and between two different materials. Additionally, we use generative language models to summarize and generate synthesis recipes for knowledge connections and knowledge transfers in the synthesis of 2D materials. Second, we explore the correlation between growth parameters and provided the growth windows for high-quality hBN by the Gaussian process. Third, we demonstrate cost-effective automated synthesis and characterization systems for CVD-grown graphene by upgrading existing equipment and adopting open-source software and hardware solutions. Moreover, we propose an integrated autonomous platform that combines robotics, multiphysics simulations, machine learning, and automated synthesis and characterization systems for 2D material synthesis. Finally, we systematically investigate t he connections between PL signatures and Raman modes employing statistical analysis, convolutional neural networks, interpretable models, and support vector machines, delivering comprehensive insights into the physical mechanisms linking PL and Raman features. This thesis may serve as a potential framework for developing and discovering novel materials for next-generation electronics.

Artificial Intelligence for Materials Science

Author : Yuan Cheng
Publisher : Springer Nature
ISBN 13 : 3030683109
Total Pages : 231 pages
Book Rating : 4.0/5 (36 download)

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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.

Machine Learning Applied to Composite Materials

Author : Vinod Kushvaha
Publisher : Springer Nature
ISBN 13 : 9811962782
Total Pages : 202 pages
Book Rating : 4.8/5 (119 download)

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Book Synopsis Machine Learning Applied to Composite Materials by : Vinod Kushvaha

Download or read book Machine Learning Applied to Composite Materials written by Vinod Kushvaha and published by Springer Nature. This book was released on 2022-11-29 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces the approach of Machine Learning (ML) based predictive models in the design of composite materials to achieve the required properties for certain applications. ML can learn from existing experimental data obtained from very limited number of experiments and subsequently can be trained to find solutions of the complex non-linear, multi-dimensional functional relationships without any prior assumptions about their nature. In this case the ML models can learn from existing experimental data obtained from (1) composite design based on various properties of the matrix material and fillers/reinforcements (2) material processing during fabrication (3) property relationships. Modelling of these relationships using ML methods significantly reduce the experimental work involved in designing new composites, and therefore offer a new avenue for material design and properties. The book caters to students, academics and researchers who are interested in the field of material composite modelling and design.

Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures

Author : Eui-Hyeok Yang
Publisher : Elsevier
ISBN 13 : 0128184760
Total Pages : 502 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures by : Eui-Hyeok Yang

Download or read book Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures written by Eui-Hyeok Yang and published by Elsevier. This book was released on 2020-06-19 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Synthesis, Modelling and Characterization of 2D Materials and Their Heterostructures provides a detailed discussion on the multiscale computational approach surrounding atomic, molecular and atomic-informed continuum models. In addition to a detailed theoretical description, this book provides example problems, sample code/script, and a discussion on how theoretical analysis provides insight into optimal experimental design. Furthermore, the book addresses the growth mechanism of these 2D materials, the formation of defects, and different lattice mismatch and interlayer interactions. Sections cover direct band gap, Raman scattering, extraordinary strong light matter interaction, layer dependent photoluminescence, and other physical properties. Explains multiscale computational techniques, from atomic to continuum scale, covering different time and length scales Provides fundamental theoretical insights, example problems, sample code and exercise problems Outlines major characterization and synthesis methods for different types of 2D materials

Machine Learning for Advanced Functional Materials

Author : Nirav Joshi
Publisher : Springer Nature
ISBN 13 : 9819903939
Total Pages : 306 pages
Book Rating : 4.8/5 (199 download)

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Book Synopsis Machine Learning for Advanced Functional Materials by : Nirav Joshi

Download or read book Machine Learning for Advanced Functional Materials written by Nirav Joshi and published by Springer Nature. This book was released on 2023-05-22 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents recent advancements of machine learning methods and their applications in material science and nanotechnologies. It provides an introduction to the field and for those who wish to explore machine learning in modeling as well as conduct data analyses of material characteristics. The book discusses ways to enhance the material’s electrical and mechanical properties based on available regression methods for supervised learning and optimization of material attributes. In summary, the growing interest among academics and professionals in the field of machine learning methods in functional nanomaterials such as sensors, solar cells, and photocatalysis is the driving force for behind this book. This is a comprehensive scientific reference book on machine learning for advanced functional materials and provides an in-depth examination of recent achievements in material science by focusing on topical issues using machine learning methods.

Application of Artificial Intelligence in New Materials Discovery

Author : Inamuddin
Publisher : Materials Research Forum LLC
ISBN 13 : 1644902532
Total Pages : 147 pages
Book Rating : 4.6/5 (449 download)

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Book Synopsis Application of Artificial Intelligence in New Materials Discovery by : Inamuddin

Download or read book Application of Artificial Intelligence in New Materials Discovery written by Inamuddin and published by Materials Research Forum LLC. This book was released on 2023-07-05 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is concerned with the use of Artificial Intelligence in the discovery, production and application of new engineering materials. Topics covered include nano-robots. data mining, solar energy systems, materials genomics, polymer manufacturing, and energy conversion issues. Keywords: Artificial Intelligence, Mathematical Models, Machine Learning, Artificial Neural Networks, Bayesian Analysis, Vector Machines, Heuristics, Crystal Structure, Component Prediction, Process Optimization, Density Functional Theory, Monitoring, Classification, Nano-Robots, Data Mining, Solar Photovoltaics, Renewable Energy Systems, Alternative Energy Sources, Material Genomics, Polymer Manufacturing, Energy Conversion.

Introduction to Global Optimization

Author : R. Horst
Publisher : Springer Science & Business Media
ISBN 13 : 9780792367567
Total Pages : 376 pages
Book Rating : 4.3/5 (675 download)

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Book Synopsis Introduction to Global Optimization by : R. Horst

Download or read book Introduction to Global Optimization written by R. Horst and published by Springer Science & Business Media. This book was released on 2000-12-31 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: A textbook for an undergraduate course in mathematical programming for students with a knowledge of elementary real analysis, linear algebra, and classical linear programming (simple techniques). Focuses on the computation and characterization of global optima of nonlinear functions, rather than the locally optimal solutions addressed by most books on optimization. Incorporates the theoretical, algorithmic, and computational advances of the past three decades that help solve globally multi-extreme problems in the mathematical modeling of real world systems. Annotation copyright by Book News, Inc., Portland, OR

Machine Learning and Data Mining in Materials Science

Author : Norbert Huber
Publisher : Frontiers Media SA
ISBN 13 : 2889636518
Total Pages : 235 pages
Book Rating : 4.8/5 (896 download)

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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:

Reviews in Computational Chemistry

Author : Kenny B. Lipkowitz
Publisher : Wiley-VCH Verlag GmbH
ISBN 13 : 9781560819158
Total Pages : 414 pages
Book Rating : 4.8/5 (191 download)

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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.

2D Materials

Author : Paolo Bondavalli
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110656337
Total Pages : 158 pages
Book Rating : 4.1/5 (16 download)

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Book Synopsis 2D Materials by : Paolo Bondavalli

Download or read book 2D Materials written by Paolo Bondavalli and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-07-18 with total page 158 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book explains, in an easy way, the diffi cult to grasp concepts behind 2D exotic material properties for physicists, materials scientists, and engineers. This is a new class of phenomena highlighted in 2D materials with strong implications on physics. Physics, also for complex phenomena, is explained in easy terms that are ideal for newcomers to the fi eld and advanced students alike. Theory and specifi c examples of materials and their intriguing properties are discussed focusing on the structure property relationships that govern materials science. Applications for each phenomenon are evoked and a roadmapping is performed.

Manufacturing Engineering and Materials Science

Author : Abhineet Saini
Publisher : CRC Press
ISBN 13 : 1000983501
Total Pages : 424 pages
Book Rating : 4.0/5 (9 download)

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Book Synopsis Manufacturing Engineering and Materials Science by : Abhineet Saini

Download or read book Manufacturing Engineering and Materials Science written by Abhineet Saini and published by CRC Press. This book was released on 2023-11-15 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, which is part of a two-volume handbook set, gives a comprehensive description of recent developments in materials science and manufacturing technology, aiming primarily at its applications in biomedical science, advanced engineering materials, conventional/non-conventional manufacturing techniques, sustainable engineering design, and related domains. Manufacturing Engineering and Materials Science: Tools and Applications provides state-of-the-art research conducted in the fields of technological advancements in surface engineering, tribology, additive manufacturing, precision manufacturing, electromechanical systems, and computer-assisted design and manufacturing. The book captures emerging areas of materials science and advanced manufacturing engineering and presents the most recent trends in research for emerging researchers, field engineers, and academic professionals.

2D Monoelemental Materials (Xenes) and Related Technologies

Author : Zongyu Huang
Publisher : CRC Press
ISBN 13 : 1000562840
Total Pages : 166 pages
Book Rating : 4.0/5 (5 download)

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Book Synopsis 2D Monoelemental Materials (Xenes) and Related Technologies by : Zongyu Huang

Download or read book 2D Monoelemental Materials (Xenes) and Related Technologies written by Zongyu Huang and published by CRC Press. This book was released on 2022-04-19 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt: Monoelemental 2D materials called Xenes have a graphene-like structure, intra-layer covalent bond, and weak van der Waals forces between layers. Materials composed of different groups of elements have different structures and rich properties, making Xenes materials a potential candidate for the next generation of 2D materials. 2D Monoelemental Materials (Xenes) and Related Technologies: Beyond Graphene describes the structure, properties, and applications of Xenes by classification and section. The first section covers the structure and classification of single-element 2D materials, according to the different main groups of monoelemental materials of different components and includes the properties and applications with detailed description. The second section discusses the structure, properties, and applications of advanced 2D Xenes materials, which are composed of heterogeneous structures, produced by defects, and regulated by the field. Features include: Systematically detailed single element materials according to the main groups of the constituent elements Classification of the most effective and widely studied 2D Xenes materials Expounding upon changes in properties and improvements in applications by different regulation mechanisms Discussion of the significance of 2D single-element materials where structural characteristics are closely combined with different preparation methods and the relevant theoretical properties complement each other with practical applications Aimed at researchers and advanced students in materials science and engineering, this book offers a broad view of current knowledge in the emerging and promising field of 2D monoelemental materials.

Materials Discovery and Design

Author : Turab Lookman
Publisher : Springer
ISBN 13 : 3319994654
Total Pages : 266 pages
Book Rating : 4.3/5 (199 download)

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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 266 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.

Machine Learning in Chemistry

Author : Jon Paul Janet
Publisher : American Chemical Society
ISBN 13 : 0841299005
Total Pages : 189 pages
Book Rating : 4.8/5 (412 download)

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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

Frontiers of Materials Research

Author : National Academies of Sciences, Engineering, and Medicine
Publisher : National Academies Press
ISBN 13 : 0309483905
Total Pages : 295 pages
Book Rating : 4.3/5 (94 download)

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Book Synopsis Frontiers of Materials Research by : National Academies of Sciences, Engineering, and Medicine

Download or read book Frontiers of Materials Research written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2019-08-12 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern materials science builds on knowledge from physics, chemistry, biology, mathematics, computer and data science, and engineering sciences to enable us to understand, control, and expand the material world. Although it is anchored in inquiry-based fundamental science, materials research is strongly focused on discovering and producing reliable and economically viable materials, from super alloys to polymer composites, that are used in a vast array of products essential to today's societies and economies. Frontiers of Materials Research: A Decadal Survey is aimed at documenting the status and promising future directions of materials research in the United States in the context of similar efforts worldwide. This third decadal survey in materials research reviews the progress and achievements in materials research and changes in the materials research landscape over the last decade; research opportunities for investment for the period 2020-2030; impacts that materials research has had and is expected to have on emerging technologies, national needs, and science; and challenges the enterprise may face over the next decade.