This book provides an authoritative introduction to the rapidly growing field of chemical reaction network theory. In particular, the book presents deep and surprising theorems that relate the graphical and algebraic structure of a reaction network to qualitative properties of the intricate system of nonlinear differential equations that the network induces. Over the course of three main parts, Feinberg provides a gradual transition from a tutorial on the basics of reaction network theory, to a survey of some of its principal theorems, and, finally, to a discussion of the theory’s more technical aspects. Written with great clarity, this book will be of value to mathematicians and to mathematically-inclined biologists, chemists, physicists, and engineers who want to contribute to chemical reaction network theory or make use of its powerful results.

Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises

A must-have resource that covers everything from out-of-equilibrium chemical systems and materials to dissipative self-assemblies Out-of-Equilibrium Supramolecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use supramolecular bonds in various out-of-thermodynamic equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative self-assemblies that maintain their structures when fueled by an external source of energy. The contributors also examine molecules and nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores non-equilibrium supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical systems and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of dissipative self-assemblies to non-equilibrium supramolecular polymers Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium Supramolecular Systems and Materials is an indispensable resource written by top scientists in the field.

FOUNDATIONS OF CHEMISTRY A foundation-level guide to chemistry for physical, life sciences and engineering students Foundations of Chemistry: An Introductory Course for Science Students fills a gap in the literature to provide a basic chemistry text aimed at physical sciences, life sciences and engineering students. The authors, noted experts on the topic, offer concise explanations of chemistry theory and the principles that are typically reviewed in most one year foundation chemistry courses and first year degree-level chemistry courses for non-chemists. The authors also include illustrative examples and information on the most recent applications in the field. Foundations of Chemistry is an important text that outlines the basic principles in each area of chemistry - physical, inorganic and organic - building on prior knowledge to quickly expand and develop a student's knowledge and understanding. Key features include: Worked examples showcase core concepts and practice questions. Margin comments signpost students to knowledge covered elsewhere and are used to highlight key learning objectives. Chapter summaries list the main concepts and learning points.

One critical barrier leading to successful implementation of flexible manufacturing and related automated systems is the ever-increasing complexity of their modeling, analysis, simulation, and control. Research and development over the last three decades has provided new theory and graphical tools based on Petri nets and related concepts for the design of such systems. The purpose of this book is to introduce a set of Petri-net-based tools and methods to address a variety of problems associated with the design and implementation of flexible manufacturing systems (FMSs), with several implementation examples.There are three ways this book will directly benefit readers. First, the book will allow engineers and managers who are responsible for the design and implementation of modern manufacturing systems to evaluate Petri nets for applications in their work. Second, it will provide sufficient breadth and depth to allow development of Petri-net-based industrial applications. Third, it will allow the basic Petri net material to be taught to industrial practitioners, students, and academic researchers much more efficiently. This will foster further research and applications of Petri nets in aiding the successful implementation of advanced manufacturing systems.

The book deals with engineering aspects of the two emerging and intertwined fields of synthetic and systems biology. Both fields hold promise to revolutionize the way molecular biology research is done, the way today’s drug discovery works and the way bio-engineering is done. Both fields stress the importance of building and characterizing small bio-molecular networks in order to synthesize incrementally and understand large complex networks inside living cells. Reminiscent of computer-aided design (CAD) of electronic circuits, abstraction is believed to be the key concept to achieve this goal. It allows hiding the overwhelming complexity of cellular processes by encapsulating network parts into abstract modules. This book provides a unique perspective on how concepts and methods from CAD of electronic circuits can be leveraged to overcome complexity barrier perceived in synthetic and systems biology.

This edited volume provides insights into and tools for the modeling, analysis, optimization, and control of large-scale networks in the life sciences and in engineering. Large-scale systems are often the result of networked interactions between a large number of subsystems, and their analysis and control are becoming increasingly important. The chapters of this book present the basic concepts and theoretical foundations of network theory and discuss its applications in different scientific areas such as biochemical reactions, chemical production processes, systems biology, electrical circuits, and mobile agents. The aim is to identify common concepts, to understand the underlying mathematical ideas, and to inspire discussions across the borders of the various disciplines. The book originates from the interdisciplinary summer school “Large Scale Networks in Engineering and Life Sciences” hosted by the International Max Planck Research School Magdeburg, September 26-30, 2011, and will therefore be of interest to mathematicians, engineers, physicists, biologists, chemists, and anyone involved in the network sciences. In particular, due to their introductory nature the chapters can serve individually or as a whole as the basis of graduate courses and seminars, future summer schools, or as reference material for practitioners in the network sciences.