Software Development in Chemistry 4

Software Development in Chemistry 4
Author: Johann Gasteiger
Publisher: Springer Science & Business Media
Total Pages: 404
Release: 2012-12-06
Genre: Science
ISBN: 3642754309

Bringing together scientists from the various disciplines of chemistry who are actively engaged in developing software and using computers to solve their problems was the main objective of the 4th workshop 'Computers in Chemistry' (November 22-24, 1989) held in Hochfilzen, Tyrol. Fields covered include molecular modelling, chemometrics, synthesis planning, computer science.

Beyond the Molecular Frontier

Beyond the Molecular Frontier
Author: National Research Council
Publisher: National Academies Press
Total Pages: 238
Release: 2003-03-19
Genre: Science
ISBN: 0309168392

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.

Applied Chemistry and Chemical Engineering, Volume 4

Applied Chemistry and Chemical Engineering, Volume 4
Author: A. K. Haghi
Publisher: CRC Press
Total Pages: 396
Release: 2017-12-22
Genre: Science
ISBN: 1351801279

Applied Chemistry and Chemical Engineering, Volume 4: Experimental Techniques and Methodical Developments provides a detailed yet easy-to-follow treatment of various techniques useful for characterizing the structure and properties of engineering materials. This timely volume provides an overview of new methods and presents experimental research in applied chemistry using modern approaches. Each chapter describes the principle of the respective method as well as the detailed procedures of experiments with examples of actual applications and then goes on to demonstrate the advantage and disadvantages of each physical technique. Thus, readers will be able to apply the concepts as described in the book to their own experiments. The book is broken into several subsections: Polymer Chemistry and Technology Computational Approaches Clinical Chemistry and Bioinformatics Special Topics This volume presents research and reviews and information on implementing and sustaining interdisciplinary studies in science, technology, engineering, and mathematics.

Partial Order in Environmental Sciences and Chemistry

Partial Order in Environmental Sciences and Chemistry
Author: Rainer Brüggemann
Publisher: Springer Science & Business Media
Total Pages: 404
Release: 2006-08-31
Genre: Science
ISBN: 3540339701

This book explains the theory and practice of order relations in such a way that no specific mathematical skill is needed to understand the advantages of this algebraization. It acts as a primer in a mathematical technique which is useful in many expanding disciplines, like genomics, techniques of decision support, and sustainability. This book is recommended to those who are interested in the interface between sciences and management.

Mathematical Challenges from Theoretical/Computational Chemistry

Mathematical Challenges from Theoretical/Computational Chemistry
Author: National Research Council
Publisher: National Academies Press
Total Pages: 143
Release: 1995-03-29
Genre: Mathematics
ISBN: 030917662X

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Requirements Engineering and Management for Software Development Projects

Requirements Engineering and Management for Software Development Projects
Author: Murali Chemuturi
Publisher: Springer Science & Business Media
Total Pages: 275
Release: 2012-09-26
Genre: Computers
ISBN: 1461453771

Requirements Engineering and Management for Software Development Projects presents a complete guide on requirements for software development including engineering, computer science and management activities. It is the first book to cover all aspects of requirements management in software development projects. This book introduces the understanding of the requirements, elicitation and gathering, requirements analysis, verification and validation of the requirements, establishment of requirements, different methodologies in brief, requirements traceability and change management among other topics. The best practices, pitfalls, and metrics used for efficient software requirements management are also covered. Intended for the professional market, including software engineers, programmers, designers and researchers, this book is also suitable for advanced-level students in computer science or engineering courses as a textbook or reference.

Multiscale Modeling for Process Safety Applications

Multiscale Modeling for Process Safety Applications
Author: Arnab Chakrabarty
Publisher: Butterworth-Heinemann
Total Pages: 446
Release: 2015-11-29
Genre: Technology & Engineering
ISBN: 0123972833

Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. - Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety - Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources - Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field - Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader