Artificial Intelligence In Catalysis
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Artificial Intelligence In Catalysis
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Author : Valentine P. Ananikov
language : en
Publisher: John Wiley & Sons
Release Date : 2025-07-02
Artificial Intelligence In Catalysis written by Valentine P. Ananikov 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 2025-07-02 with Technology & Engineering categories.
Enables researchers and professionals to leverage machine learning tools to optimize catalyst design and chemical processes Artificial Intelligence in Catalysis delivers a state-of-the-art overview of artificial intelligence methodologies applied in catalysis. Divided into three parts, it covers the latest advancements and trends for catalyst discovery and characterization, reaction predictions, and process optimization using machine learning, quantum chemistry, and cheminformatics. Written by an international team of experts in the field, with each chapter combining experimental and computational knowledge, Artificial Intelligence in Catalysis includes information on: Artificial intelligence techniques for chemical reaction monitoring and structural analysis Application of artificial neural networks in the analysis of electron microscopy data Construction of training datasets for chemical reactivity prediction through computational means Catalyst optimization and discovery using machine learning models Predicting selectivity in asymmetric catalysis with machine learning Artificial Intelligence in Catalysis is a practical guide for researchers in academia and industry interested in developing new catalysts, improving organic synthesis, and minimizing waste and energy use.
Artificial Metalloenzymes And Metallodnazymes In Catalysis
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Author : Montserrat Diéguez
language : en
Publisher: John Wiley & Sons
Release Date : 2018-02-21
Artificial Metalloenzymes And Metallodnazymes In Catalysis written by Montserrat Diéguez 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 2018-02-21 with Technology & Engineering categories.
An important reference for researchers in the field of metal-enzyme hybrid catalysis Artificial Metalloenzymes and MetalloDNAzymes in Catalysis offers a comprehensive review of the most current strategies, developed over recent decades, for the design, synthesis, and optimization of these hybrid catalysts as well as material about their application. The contributors—noted experts in the field—present information on the preparation, characterization, and optimization of artificial metalloenzymes in a timely and authoritative manner. The authors present a thorough examination of this interesting new platform for catalysis that combines the excellent selective recognition/binding properties of enzymes with transition metal catalysts. The text includes information on the various applications of metal-enzyme hybrid catalysts for novel reactions, offers insights into the latest advances in the field, and contains an informative perspective on the future: Explores the development of artificial metalloenzymes, the modern and strongly evolving research field on the verge of industrial application Contains a comprehensive reference to the research area of metal-enzyme hybrid catalysis that has experienced tremendous growth in recent years Includes contributions from leading researchers in the field Shows how this new catalysis combines the selective recognition/binding properties of enzymes with transition metal catalysts Written for catalytic chemists, bioinorganic chemists, biochemists, and organic chemists, Artificial Metalloenzymes and MetalloDNAzymes in Catalysis offers a unique reference to the fundamentals, concepts, applications, and the most recent developments for more efficient and sustainable synthesis.
Asymmetric Catalysis
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Author : B. Bosnich
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Asymmetric Catalysis written by B. Bosnich 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 2012-12-06 with Science categories.
The rate of advance in areas of science is seldom constant. Usually certain fields effloresce with activity because of the ~ealization that solutions are possible to long standing important problems. So it is now with asymmetric catalysis, a field which promises to change profoundly the strategic thinking of synthetic chemists. As this Report will show, reagents which can induce catalytic enantiocontrol of chemical transformations could represent the ultimate synthetic method. Nearly all synthetic strategies of complex molecules involve steps which require enantiocontrol and, in many cases, a specific catalytic transformation embodying enan tiocontrol has enormous advantages in terms of the rate and economy of the reaction. Because asymmetric catalysis is in a formative stage, workers with different backgrounds have joined the field. This Workshop had representatives with organometallic, organic, structural, kinetic, enzymatic, microbiological and industrial backgrounds. Each had his own perspective and this Report represents a consensus of this group of eleven people. The result is probably as compre hensive and balanced a view of the subject as is possible at present. It is hoped that those who have until now had but a glancing interest in asymmetric catalysis will find this Report a useful indication of its present state. We believe that asymmetric catalysis will have an increasing impact on the development of chemistry and will eventually dominate much of synthetic and industrial chemistry.
Computational Catalysis
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Author : Aravind Asthagiri
language : en
Publisher: Royal Society of Chemistry
Release Date : 2024-12-20
Computational Catalysis written by Aravind Asthagiri and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-12-20 with Science categories.
First-principles-based modelling of catalysts is a growing field and the past decade has seen the range of applications for it increase. Improvements in computing power and developments in the areas of machine learning have made many exciting advances possible. The new edition of Computational Catalysis provides an update on the contents of the previous edition whilst introducing new chapters on kinetic Monte Carlo, modelling solvent effects, machine learning for catalyst modelling and design, and modelling complex heterogeneous structures. Written to be accessible to anyone with a familiarity with quantum mechanical methods, this book is a valuable resource for both early career researchers and graduate students.
Artificial Intelligence In Manufacturing
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Author : Masoud Soroush
language : en
Publisher: Elsevier
Release Date : 2024-01-22
Artificial Intelligence In Manufacturing written by Masoud Soroush and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-01-22 with Technology & Engineering categories.
Artificial Intelligence in Manufacturing: Applications and Case Studies provides detailed technical descriptions of emerging applications of AI in manufacturing using case studies to explain implementation. Artificial intelligence is increasingly being applied to all engineering disciplines, producing insights into how we understand the world and allowing us to create products in new ways. This book unlocks the advantages of this technology for manufacturing by drawing on work by leading researchers who have successfully used it in a range of applications. Processes including additive manufacturing, pharmaceutical manufacturing, painting, chemical engineering and machinery maintenance are all addressed. Case studies, worked examples, basic introductory material and step-by-step instructions on methods make the work accessible to a large group of interested professionals. - Explains innovative computational tools and methods in a practical and systematic way - Addresses a wide range of manufacturing types, including additive, chemical and pharmaceutical - Includes case studies from industry that describe how to overcome the challenges of implementing these methods in practice
Machine Learning In Chemistry
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Author : Hugh M. Cartwright
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-07-15
Machine Learning In Chemistry written by Hugh M. Cartwright and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-15 with Science categories.
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.
Chemical Catalysts For Biomass Upgrading
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Author : Mark Crocker
language : en
Publisher: John Wiley & Sons
Release Date : 2020-03-09
Chemical Catalysts For Biomass Upgrading written by Mark Crocker 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 2020-03-09 with Technology & Engineering categories.
A comprehensive reference to the use of innovative catalysts and processes to turn biomass into value-added chemicals Chemical Catalysts for Biomass Upgrading offers detailed descriptions of catalysts and catalytic processes employed in the synthesis of chemicals and fuels from the most abundant and important biomass types. The contributors?noted experts on the topic?focus on the application of catalysts to the pyrolysis of whole biomass and to the upgrading of bio-oils. The authors discuss catalytic approaches to the processing of biomass-derived oxygenates, as exemplified by sugars, via reactions such as reforming, hydrogenation, oxidation, and condensation reactions. Additionally, the book provides an overview of catalysts for lignin valorization via oxidative and reductive methods and considers the conversion of fats and oils to fuels and terminal olefins by means of esterification/transesterification, hydrodeoxygenation, and decarboxylation/decarbonylation processes. The authors also provide an overview of conversion processes based on terpenes and chitin, two emerging feedstocks with a rich chemistry, and summarize some of the emerging trends in the field. This important book: -Provides a comprehensive review of innovative catalysts, catalytic processes, and catalyst design -Offers a guide to one of the most promising ways to find useful alternatives for fossil fuel resources -Includes information on the most abundant and important types of biomass feedstocks -Examines fields such as catalytic cracking, pyrolysis, depolymerization, and many more Written for catalytic chemists, process engineers, environmental chemists, bioengineers, organic chemists, and polymer chemists, Chemical Catalysts for Biomass Upgrading presents deep insights on the most important aspects of biomass upgrading and their various types.
Design And Optimization In Organic Synthesis
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Author : Rolf Carlson
language : en
Publisher: Elsevier
Release Date : 2005-04-08
Design And Optimization In Organic Synthesis written by Rolf Carlson and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-04-08 with Science categories.
Revised, and updated Design and Optimization in Organic Synthesis presents strategies to explore experimental conditions and methodologies for systematic studies of entire reaction systems (substrates, reagent(s), catalyst(s), and solvents). Chemical phenomena are not usually the result of a single factor and this book describes how statistically designed methods can be used to analyse and evaluate synthetic procedures. The methodology is based on multivariate statistical techniques. The accompanying CD contains data tables and programmes. This book is essential reading for anyone working in process design and development in fine chemicals or the pharmaceutical industry, and is suitable for those with no experience in the field.* Contains recalculated models and redrawn figures, as well as new chapters on for example, the design of combinatorial libraries * Presents strategies to explore experimental conditions and methodologies* Enables the analysis and prediction of the best synthetic procedures
Computational Catalysis
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Author : Aravind Asthagiri
language : en
Publisher: Royal Society of Chemistry
Release Date : 2013-12-02
Computational Catalysis written by Aravind Asthagiri and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-12-02 with Technology & Engineering categories.
The field of computational catalysis has existed in one form or another for at least 30 years. Its ultimate goal - the design of a novel catalyst entirely from the computer. While this goal has not been reached yet, the 21st Century has already seen key advances in capturing the myriad complex phenomena that are critical to catalyst behaviour under reaction conditions. This book presents an in depth review of select methods and approaches being adopted to push forward the boundaries of computational catalysis. Each method is supported with applied examples selected by the author, proving to be a more substantial resource than the existing literature. Both existing and possible future high-impact techniques are presented. An essential reference to anyone working in the field, the bookÆs editors share more than two decades of experience in computational catalysis and have brought together an impressive array of contributors. The book is written to ensure postgraduates and professionals will benefit from this one-stop resource on the cutting-edge of the field.
Catalysis
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Author : Gadi Rothenberg
language : en
Publisher: John Wiley & Sons
Release Date : 2017-09-01
Catalysis written by Gadi Rothenberg 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 2017-09-01 with Science categories.
This introductory textbook covers all aspects of catalysis. It also bridges computational methods, industrial applications and green chemistry, with over 600 references. The book is aimed at chemistry and chemical engineering students, and is suitable for both senior undergraduate- and graduate-level courses, with many examples and hands-on exercises. The author, a renowned researcher in catalysis, is well known for his clear teaching and writing style (he was voted "lecturer of the year" by the chemistry students). Following an introduction to green chemistry and the basics of catalysis, the book covers the principles and applications of homogeneous catalysis, heterogeneous catalysis and biocatalysis. Each chapter includes up-to-date industrial examples, that demonstrate how catalysis helps our society reach the goals of sustainable development. Since its publication in 2008, Catalysis: Concepts and Green Applications has become the most popular textbook in catalysis. This second edition is updated with the latest developments in catalysis research in academia and industry. It also contains 50 additional exercises, based on the suggestions of students and teachers of chemistry and chemical engineering from all over the world. The book is also available in the Chinese language (https://detail.tmall.com/item.htm?spm=a212k0.12153887.0.0.4e60687dUTEDKm&id=619581126247). Additional teaching material (original figures as PowerPoint lecture slides) is freely available in the Supplementary Material.