Download or read book Software Development in Chemistry 4 written by Johann Gasteiger and published by Springer. This book was released on 1990-07-10 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Software Development in Chemistry 4 written by Johann Gasteiger and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Teaching Programming Across the Chemistry Curriculum written by Ashley Ringer McDonald and published by ACS Symposium. This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Sponsored by the ACS Division of Chemical Education."
Download or read book Software Development in Chemistry 4 written by Johann Gasteiger and published by . This book was released on 1990-07-10 with total page 436 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 Software Development in Chemistry written by Gesellschaft Deutscher Chemiker. Division of "Chemie Information." Working Party "CIC- Computer in der Chemie." and published by . This book was released on 1990 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book New Horizons in Computational Chemistry Software written by Michael Filatov and published by Springer Nature. This book was released on 2022-07-30 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging trends. The challenges of maintaining the legacy codes and their adaptation to the rapidly growing hardware capabilities and the new programming environments are surveyed in a series of topical reviews written by the core developers and maintainers of the popular quantum chemistry and molecular dynamics programs. Special emphasis is given to new computational methodologies and practical aspects of their implementation and application in the computational chemistry codes. Modularity of the computational chemistry software is an emerging concept that enables to bypass the development and maintenance bottleneck of the legacy software and to customize the software using the best available computational procedures implemented in the form of self-contained modules. Perspectives on modular design of the computer programs for modeling molecular electronic structure, non-adiabatic dynamics, kinetics, as well as for data visualization are presented by the researchers actively working in the field of software development and application. This volume is of interest to quantum and computational chemists as well as experimental chemists actively using and developing computational software for their research. Chapters "MLatom 2: An Integrative Platform for Atomistic Machine Learning” and “Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol" are available open access under a CC BY 4.0 License via link.springer.com.
Download or read book Software Development in Chemistry 5 written by Jürgen Gmehling and published by Springer. This book was released on 1991-07-25 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organized by the working group
Download or read book Software Development in Chemistry 5 written by Jürgen Gmehling and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organized by the working group
Download or read book Mathematical Challenges from Theoretical Computational Chemistry written by National Research Council and published by National Academies Press. This book was released on 1995-03-29 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Tools for Chemical Biology written by Sonsoles Martín-Santamaría and published by Royal Society of Chemistry. This book was released on 2017-11-01 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.
Download or read book Partial Order in Environmental Sciences and Chemistry written by Rainer Brüggemann and published by Springer Science & Business Media. This book was released on 2006-08-31 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology written by National Research Council and published by National Academies Press. This book was released on 1999-08-31 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.
Download or read book Agile Management for Software Engineering written by David J. Anderson and published by Prentice Hall Professional. This book was released on 2003-09-17 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt: A breakthrough approach to managing agile software development, Agile methods might just be the alternative to outsourcing. However, agile development must scale in scope and discipline to be acceptable in the boardrooms of the Fortune 1000. In Agile Management for Software Engineering, David J. Anderson shows managers how to apply management science to gain the full business benefits of agility through application of the focused approach taught by Eli Goldratt in his Theory of Constraints. Whether you're using XP, Scrum, FDD, or another agile approach, you'll learn how to develop management discipline for all phases of the engineering process, implement realistic financial and production metrics, and focus on building software that delivers maximum customer value and outstanding business results.Coverage includes: Making the business case for agile methods: practical tools and disciplines How to choose an agile method for your next project Breakthrough application of Critical Chain Project Management and constraint-driven control of the flow of value Defines the four new roles for the agile manager in software projects—and competitive IT organizations Whether you're a development manager, project manager, team leader, or senior IT executive, this book will help you achieve all four of your most urgent challenges: lower cost, faster delivery, improved quality, and focused alignment with the business.
Download or read book Computer Based Projects for a Chemistry Curriculum written by Thomas J. Manning and published by Bentham Science Publishers. This book was released on 2013-04-04 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: This e-book is a collection of exercises designed for students studying chemistry courses at a high school or undergraduate level. The e-book contains 24 chapters each containing various activities employing applications such as MS excel (spreadsheets) and Spartan (computational modeling). Each project is explained in a simple, easy-to-understand manner. The content within this book is suitable as a guide for both teachers and students and each chapter is supplemented with practice guidelines and exercises. Computer Based Projects for a Chemistry Curriculum therefore serves to bring computer based learning – a much needed addition in line with modern educational trends – to the chemistry classroom.
Download or read book Official Gazette of the United States Patent and Trademark Office written by and published by . This book was released on 2001 with total page 1598 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Requirements Engineering and Management for Software Development Projects written by Murali Chemuturi and published by Springer Science & Business Media. This book was released on 2012-09-26 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
