Materials Informatics And Catalysts Informatics
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Materials Informatics And Catalysts Informatics
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Author : Keisuke Takahashi
language : en
Publisher: Springer Nature
Release Date : 2024-03-30
Materials Informatics And Catalysts Informatics written by Keisuke Takahashi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-30 with Technology & Engineering categories.
This textbook is designed for students and researchers who are interested in materials and catalysts informatics with little to no prior experience in data science or programming languages. Starting with a comprehensive overview of the concept and historical context of materials and catalysts informatics, it serves as a guide for establishing a robust materials informatics environment. This essential resource is designed to teach vital skills and techniques required for conducting informatics-driven research, including the intersection of hardware, software, programming, machine learning within the field of data science and informatics. Readers will explore fundamental programming techniques, with a specific focus on Python, a versatile and widely-used language in the field. The textbook explores various machine learning techniques, equipping learners with the knowledge to harness the power of data science effectively. The textbook provides Python code examples, demonstrating materials informatics applications, and offers a deeper understanding through real-world case studies using materials and catalysts data. This practical exposure ensures readers are fully prepared to embark on their informatics-driven research endeavors upon completing the textbook. Instructors will also find immense value in this resource, as it consolidates the skills and information required for materials informatics into one comprehensive repository. This streamlines the course development process, significantly reducing the time spent on creating course material. Instructors can leverage this solid foundation to craft engaging and informative lecture content, making the teaching process more efficient and effective.
Materials Informatics I
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Author : Kunal Roy
language : en
Publisher: Springer Nature
Release Date : 2025-05-10
Materials Informatics I written by Kunal Roy and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-10 with Science categories.
This contributed volume explores the integration of machine learning and cheminformatics within materials science, focusing on predictive modeling techniques. It begins with foundational concepts in materials informatics and cheminformatics, emphasizing quantitative structure-property relationships (QSPR). The volume then presents various methods and tools, including advanced QSPR models, quantitative read-across structure-property relationship (q-RASPR) models, optimization strategies with minimal data, and in silico studies using different descriptors. Additionally, it explores machine learning algorithms and their applications in materials science, alongside innovative modeling approaches for quantum-theoretic properties. Overall, the book serves as a comprehensive resource for understanding and applying machine learning in the study and development of advanced materials and is a useful tool for students, researchers and professionals working in these areas.
Crystalline Metal Oxide Catalysts
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Author : Wataru Ueda
language : en
Publisher: Springer Nature
Release Date : 2022-10-26
Crystalline Metal Oxide Catalysts written by Wataru Ueda and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-26 with Science categories.
This book introduces the innovatively advanced crystalline metal oxide catalysts that have multi-catalytic functions on the basis of spatially placed elements in crystal structure. With authors who are experts in their fields, the chapters of the book are organized according to catalytic function, on the basis of crystal structure. The book also covers the structure determination of micro–nano-sized metal oxide crystals that are now standard in most catalytic materials and new trends in catalyst development using materials informatics and catalytic informatics. The information contained here will guide researchers who are eager to carry out sustainable catalytic processes and ultimately to achieve a sustainable society in their quest for catalyst development.
Handbook Of Materials Modeling
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Author : Sidney Yip
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-11-17
Handbook Of Materials Modeling written by Sidney Yip and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-11-17 with Science categories.
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.
Recent Advances In Technology Research And Education
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Author : Dumitru Luca
language : en
Publisher: Springer
Release Date : 2017-09-08
Recent Advances In Technology Research And Education written by Dumitru Luca and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-09-08 with Technology & Engineering categories.
This book presents selected contributions to the 16th International Conference on Global Research and Education Inter-Academia 2017 hosted by Alexandru Ioan Cuza University of Iași, Romania from 25 to 28 September 2017. It is the third volume in the series, following the editions from 2015 and 2016. Fundamental and applied research in natural sciences have led to crucial developments in the ongoing 4th global industrial revolution, in the course of which information technology has become deeply embedded in industrial management, research and innovation – and just as deeply in education and everyday life. Materials science and nanotechnology, plasma and solid state physics, photonics, electrical and electronic engineering, robotics and metrology, signal processing, e-learning, intelligent and soft computing have long since been central research priorities for the Inter-Academia Community (I-AC) – a body comprising 14 universities and research institutes from Japan and Central/East-European countries that agreed, in 2002, to coordinate their research and education programs so as to better address today’s challenges. The book is intended for use in academic, government, and industrial R&D departments as a reference tool in research and technology education. The 42 peer-reviewed papers were written by more than 119 leading scientists from 14 countries, most of them affiliated to the I-AC.
Engineering Catalysis
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Author : Dmitry Yu. Murzin
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2020-02-10
Engineering Catalysis written by Dmitry Yu. Murzin and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-10 with Science categories.
The book illuminates various aspects of heterogeneous catalysis engineering, from catalysis design, catalyst preparation and characterization, reaction kinetics, mass transfer, and catalytic reactors to the implementation of catalysts in chemical technology. Aimed at graduate students, it is also a useful resource for professionals working in research and development.
Horizons In Bioprocess Engineering
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Author : Ravindra Pogaku
language : en
Publisher: Springer Nature
Release Date : 2019-10-12
Horizons In Bioprocess Engineering written by Ravindra Pogaku and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-10-12 with Science categories.
This book is divided into four parts that outline the use of science and technology for applications pertaining to chemical and bioprocess engineering. The book endeavors to help academia, researchers, and practitioners to use the principles and tools of Chemical and Bioprocess Engineering in a pertinent way, while attempting to point out the novel thoughts associated with the brain storming concepts encountered. As an example, the ability to use case studies appropriately is more important, to most practitioners.
Applied Chemoinformatics
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Author : Thomas Engel
language : en
Publisher: John Wiley & Sons
Release Date : 2018-04-19
Applied Chemoinformatics written by Thomas Engel 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 2018-04-19 with Science categories.
Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
Frontiers Of Materials Research
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Author : National Academies of Sciences, Engineering, and Medicine
language : en
Publisher: National Academies Press
Release Date : 2019-09-12
Frontiers Of Materials Research written by National Academies of Sciences, Engineering, and Medicine and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-12 with Technology & Engineering categories.
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.
Introduction To Computational Health Informatics
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Author : Arvind Kumar Bansal
language : en
Publisher: CRC Press
Release Date : 2019-12-23
Introduction To Computational Health Informatics written by Arvind Kumar Bansal and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-12-23 with Medical categories.
This class-tested textbook is designed for a semester-long graduate or senior undergraduate course on Computational Health Informatics. The focus of the book is on computational techniques that are widely used in health data analysis and health informatics and it integrates computer science and clinical perspectives. This book prepares computer science students for careers in computational health informatics and medical data analysis. Features Integrates computer science and clinical perspectives Describes various statistical and artificial intelligence techniques, including machine learning techniques such as clustering of temporal data, regression analysis, neural networks, HMM, decision trees, SVM, and data mining, all of which are techniques used widely used in health-data analysis Describes computational techniques such as multidimensional and multimedia data representation and retrieval, ontology, patient-data deidentification, temporal data analysis, heterogeneous databases, medical image analysis and transmission, biosignal analysis, pervasive healthcare, automated text-analysis, health-vocabulary knowledgebases and medical information-exchange Includes bioinformatics and pharmacokinetics techniques and their applications to vaccine and drug development