Download or read book Thermochemical Kinetics written by Sidney William Benson and published by . This book was released on 1976 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book Accelerated Materials Discovery written by Phil De Luna and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-02-21 with total page 215 pages. Available in PDF, EPUB and Kindle. Book excerpt: Typical timelines to go from discovery to impact in the advanced materials sector are between 10 to 30 years. Advances in robotics and artificial intelligence are poised to accelerate the discovery and development of new materials dramatically. This book is a primer for any materials scientist looking to future-proof their careers and get ahead of the disruption that artificial intelligence and robotic automation is just starting to unleash. It is meant to be an overview of how we can use these disruptive technologies to augment and supercharge our abilities to discover new materials that will solve world’s biggest challenges. Written by world leading experts on accelerated materials discovery from academia (UC Berkeley, Caltech, UBC, Cornell, etc.), industry (Toyota Research Institute, Citrine Informatics) and national labs (National Research Council of Canada, Lawrence Berkeley National Labs).
Download or read book Laboratory Automation in the Chemical Indus written by David G. Cork and published by CRC Press. This book was released on 2002-04-02 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Featuring extensive calculations and examples, this reference discusses theoretical and practical aspects of short-circuit currents in ac and dc systems, load flow, and harmonic analyses to provide a sound knowledge base for modern computer-based studies that can be utilized in real-world applications. Presenting more than 2300 figures, tables, and equations, the author explores matrix methods for network solutions and includes load flow and optimization techniques. He discusses ac and dc short-circuit systems calculations in accordance with standards set by the American National Standards Institute (ANSI) and the International Electrotechnical Commission (IEC).
Download or read book Chemistry and Physics of Energetic Materials written by S.N. Bulusu and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 756 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book represents a collection of lectures presented at the NATO Advanced study Institute(ASI) on "Chemistry & Physics of the Molecular Processes in Energetic Materials", held at Hotel Torre Normanna, Altavilla Milicia, Sicily, Italy, September 3 to 15, 1989. The institute was attended by seventy participants including twenty lecturers, drawn from thirteen countries. The purpose of the institute was to review the major ad vances made in recent years in the theoretical and experi mental aspects of explosives and propellants. In accordance with the format of the NATO ASI, it was arranged to have a relatively small number of speakers to present in depth, re view type lectures emphasizing the basic research aspects of the subject, over a two week period. Most of the speakers gave two lectures, each in excess of one hour with addition al time for discussions. The scope of the meeting was limit ed to molecular and spectroscopic studies since the hydro dynamic aspects of detonation and various performance crite ria of energetic materials are often covered adequately in other international meetings. An attempt was made to have a coherent presentation of various theoretical, computational and spectroscopic approaches to help a better understanding of energetic materials from a molecular point of view. The progress already made in these areas is such that structure property (e. g.
Download or read book Flow Chemistry Applications written by Ferenc Darvas and published by Walter de Gruyter GmbH & Co KG. This book was released on 2014-11-18 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Flow Chemistry fills the gap in graduate education by covering chemistry and reaction principles along with current practice, including examples of relevant commercial reaction, separation, automation, and analytical equipment. The Editors of Flow Chemistry are commended for having taken the initiative to bring together experts from the field to provide a comprehensive treatment of fundamental and practical considerations underlying flow chemistry. It promises to become a useful study text and as well as reference for the graduate students and practitioners of flow chemistry." Professor Klavs Jensen Massachusetts Institute of Technology, USA Broader theoretical insight in driving a chemical reaction automatically opens the window towards new technologies particularly to flow chemistry. This emerging concept promotes the transformation of present day's organic processes into a more rapid continuous set of synthesis operations, more compatible with the envisioned sustainable world. These two volumes Fundamentals and Applications provide both the theoretical foundation as well as the practical aspects.
Download or read book Scatter Search written by Manuel Laguna and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book Scatter Search by Manuel Laguna and Rafael Martí represents a long-awaited "missing link" in the literature of evolutionary methods. Scatter Search (SS)-together with its generalized form called Path Relinking-constitutes the only evolutionary approach that embraces a collection of principles from Tabu Search (TS), an approach popularly regarded to be divorced from evolutionary procedures. The TS perspective, which is responsible for introducing adaptive memory strategies into the metaheuristic literature (at purposeful level beyond simple inheritance mechanisms), may at first seem to be at odds with population-based approaches. Yet this perspective equips SS with a remarkably effective foundation for solving a wide range of practical problems. The successes documented by Scatter Search come not so much from the adoption of adaptive memory in the range of ways proposed in Tabu Search (except where, as often happens, SS is advantageously coupled with TS), but from the use of strategic ideas initially proposed for exploiting adaptive memory, which blend harmoniously with the structure of Scatter Search. From a historical perspective, the dedicated use of heuristic strategies both to guide the process of combining solutions and to enhance the quality of offspring has been heralded as a key innovation in evolutionary methods, giving rise to what are sometimes called "hybrid" (or "memetic") evolutionary procedures. The underlying processes have been introduced into the mainstream of evolutionary methods (such as genetic algorithms, for example) by a series of gradual steps beginning in the late 1980s.
Download or read book Automating the News written by Nicholas Diakopoulos and published by Harvard University Press. This book was released on 2019-06-10 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: From hidden connections in big data to bots spreading fake news, journalism is increasingly computer-generated. An expert in computer science and media explains the present and future of a world in which news is created by algorithm. Amid the push for self-driving cars and the roboticization of industrial economies, automation has proven one of the biggest news stories of our time. Yet the wide-scale automation of the news itself has largely escaped attention. In this lively exposé of that rapidly shifting terrain, Nicholas Diakopoulos focuses on the people who tell the stories—increasingly with the help of computer algorithms that are fundamentally changing the creation, dissemination, and reception of the news. Diakopoulos reveals how machine learning and data mining have transformed investigative journalism. Newsbots converse with social media audiences, distributing stories and receiving feedback. Online media has become a platform for A/B testing of content, helping journalists to better understand what moves audiences. Algorithms can even draft certain kinds of stories. These techniques enable media organizations to take advantage of experiments and economies of scale, enhancing the sustainability of the fourth estate. But they also place pressure on editorial decision-making, because they allow journalists to produce more stories, sometimes better ones, but rarely both. Automating the News responds to hype and fears surrounding journalistic algorithms by exploring the human influence embedded in automation. Though the effects of automation are deep, Diakopoulos shows that journalists are at little risk of being displaced. With algorithms at their fingertips, they may work differently and tell different stories than they otherwise would, but their values remain the driving force behind the news. The human–algorithm hybrid thus emerges as the latest embodiment of an age-old tension between commercial imperatives and journalistic principles.
Download or read book Artificial Intelligence in Drug Discovery written by Nathan Brown and published by Royal Society of Chemistry. This book was released on 2020-11-04 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.
Download or read book Artificial Intelligence in Drug Discovery written by Nathan Brown and published by Royal Society of Chemistry. This book was released on 2020-11-12 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation.
Download or read book Multidisciplinary Design Optimization written by Natalia M. Alexandrov and published by SIAM. This book was released on 1997-01-01 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multidisciplinary design optimization (MDO) has recently emerged as a field of research and practice that brings together many previously disjointed disciplines and tools of engineering and mathematics. MDO can be described as a technology, environment, or methodology for the design of complex, coupled engineering systems, such as aircraft, automobiles, and other mechanisms, the behavior of which is determined by interacting subsystems.
Download or read book Flow Chemistry in Drug Discovery written by Jesus Alcazar and published by Springer Nature. This book was released on 2021-12-08 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the challenges and opportunities posed by flow chemistry in drug discovery, and offers a handy reference tool for medicinal chemists interested in the synthesis of biologically active compounds. Prepared by expert contributors, the respective chapters cover not only fundamental methodologies and reactions, such as the application of catalysis, especially biocatalysis and organocatalysis; and non-conventional activation techniques, from photochemistry to electrochemistry; but also the development of new process windows, processes and reactions in drug synthesis. Particular attention is given to automatization and library synthesis, which are of great importance in the pharmaceutical industry. Readers will also find coverage on selected topics of general interest, such as how flow chemistry is contributing to drug discovery R&D in developing countries, and the green character of this enabling technology, for example in the production of raw materials for the pharmaceutical industry from waste. Given its scope, the book appeals to medicinal chemistry researchers working in academia and industry alike, as well as professionals involved in scale-up and drug development.
Download or read book Guidelines for Safe Automation of Chemical Processes written by CCPS (Center for Chemical Process Safety) and published by John Wiley & Sons. This book was released on 2017-01-06 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides designers and operators of chemical process facilities with a general philosophy and approach to safe automation, including independent layers of safety. An expanded edition, this book includes a revision of original concepts as well as chapters that address new topics such as use of wireless automation and Safety Instrumented Systems. This book also provides an extensive bibliography to related publications and topic-specific information.
Download or read book OntoCAPE written by Wolfgang Marquardt and published by Springer Science & Business Media. This book was released on 2009-12-16 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: Motivation for this Book Ontologies have received increasing attention over the last two decades. Their roots can be traced back to the ancient philosophers, who were interested in a c- ceptualization of the world. In the more recent past, ontologies and ontological engineering have evolved in computer science, building on various roots such as logics, knowledge representation, information modeling and management, and (knowledge-based) information systems. Most recently, largely driven by the next generation internet, the so-called Semantic Web, ontological software engineering has developed into a scientific field of its own, which puts particular emphasis on the theoretical foundations of representation and reasoning, and on the methods and tools required for building ontology-based software applications in diverse domains. Though this field is largely dominated by computer science, close re- tionships have been established with its diverse areas of application, where - searchers are interested in exploiting the results of ontological software engine- ing, particularly to build large knowledge-intensive applications at high productivity and low maintenance effort. Consequently, a large number of scientific papers and monographs have been p- lished in the very recent past dealing with the theory and practice of ontological software engineering. So far, the majority of those books are dedicated to the th- retical foundations of ontologies, including philosophical treatises and their re- tionships to established methods in information systems and ontological software engineering.
Download or read book Selected Water Resources Abstracts written by and published by . This book was released on 1987 with total page 942 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Automation Solutions for Analytical Measurements written by Heidi Fleischer and published by John Wiley & Sons. This book was released on 2017-08-30 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book dedicated specifically to automated sample preparation and analytical measurements, this timely and systematic overview not only covers biological applications, but also environmental measuring technology, drug discovery, and quality assurance. Following a critical review of realized automation solutions in biological sciences, the book goes on to discuss special requirements for comparable systems for analytical applications, taking different concepts into consideration and with examples chosen to illustrate the scope and limitations of each technique.
Download or read book Statistical Modelling of Molecular Descriptors in QSAR QSPR written by Matthias Dehmer and published by John Wiley & Sons. This book was released on 2012-09-13 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR. The high-profile international author and editor team ensures excellent coverage of the topic, making this a must-have for everyone working in chemoinformatics and structure-oriented drug design.
