Modeling Chemical Systems Using Cellular Automata

Modeling Chemical Systems using Cellular Automata provides a practical introduction to an exciting modeling paradigm for complex systems. The book first discusses the nature of scientific inquiry using models and simulations, and then describes the nature of cellular automata models. It then gives detailed descriptions, with examples and exercises, of how cellular automata models can be used in the study of a wide variety chemical, physical, and biochemical phenomena. Topics covered include models of water itself, solution phenomena, solution interactions with stationary systems, first- and second-order kinetic phenomena, enzyme kinetics, vapor-liquid equilibrium, and atomic and molecular excited-state kinetics. The student experiences these systems through hands-on examples and guided studies. This book is the first of its kind: a textbook and a laboratory manual about cellular automata modeling of common systems in chemistry. The book is designed to be used as a text in undergraduate courses dealing with complex systems and/or as a computational supplement to laboratory courses taught at the undergraduate level. The book includes: - Compact descriptions of a large variety of physical and chemical phenomena - Illustrative examples of simulations, with exercises for further study - An instructor's manual for use of the program The book will be of great value in undergraduate courses in chemistry, physics, biology, applied mathematics, and bioinformatics, and as a supplement for laboratory courses in introductory chemistry, organic chemistry, physical chemistry, medicinal chemistry, chemical engineering and other courses dealing with statistical and dynamic systems. It allows the exploration of a wide range of dynamic phenomena, many of which are not normally accessible within conventional laboratory settings due to limitations of time, cost, and experimental equipment. The book is both a textbook on applied Cellular Automata and a lab manual for chemistry (physics, engineering) courses with lab activity. It would supplement other lab work and be an additonal book the students would use in the course. The authors have assessed the emerging need for this kind of activity in science labs because of the cost of the practical activitites and the frequent failure of some exercises leading to lost didactic value of some experiments. This book is pioneering an alternative that will grow in use. There are no course directors who would use Cellular Automata exclusively. The authors see an emerging interest in this kind of work in courses that contain lab exercises. One such course is the graduate course that Lemont Kier gives in Life Sciences about complexity. He uses many examples and studies from Cellular Automata in the latter part of this course.

This book provides a self-contained introduction to cellular automata and lattice Boltzmann techniques. Beginning with a chapter introducing the basic concepts of this developing field, a second chapter describes methods used in cellular automata modeling. Following chapters discuss the statistical mechanics of lattice gases, diffusion phenomena, reaction-diffusion processes and non-equilibrium phase transitions. A final chapter looks at other models and applications, such as wave propagation and multiparticle fluids. With a pedagogic approach, the volume focuses on the use of cellular automata in the framework of equilibrium and non-equilibrium statistical physics. It also emphasises application-oriented problems such as fluid dynamics and pattern formation. The book contains many examples and problems. A glossary and a detailed bibliography are also included. This will be a valuable book for graduate students and researchers working in statistical physics, solid state physics, chemical physics and computer science.

This book focuses on a challenging application field of cellular automata: pattern formation in biological systems, such as the growth of microorganisms, dynamics of cellular tissue and tumors, and formation of pigment cell patterns. These phenomena, resulting from complex cellular interactions, cannot be deduced solely from experimental analysis, but can be more easily examined using mathematical models, in particular, cellular automaton models. While there are various books treating cellular automaton modeling, this interdisciplinary work is the first one covering biological applications. The book is aimed at researchers, practitioners, and students in applied mathematics, mathematical biology, computational physics, bioengineering, and computer science interested in a cellular automaton approach to biological modeling.

Theory of Computation -- Computation by Abstracts Devices.

This book provides an overview of the main approaches used to analyze the dynamics of cellular automata. Cellular automata are an indispensable tool in mathematical modeling. In contrast to classical modeling approaches like partial differential equations, cellular automata are relatively easy to simulate but difficult to analyze. In this book we present a review of approaches and theories that allow the reader to understand the behavior of cellular automata beyond simulations. The first part consists of an introduction to cellular automata on Cayley graphs, and their characterization via the fundamental Cutis-Hedlund-Lyndon theorems in the context of various topological concepts (Cantor, Besicovitch and Weyl topology). The second part focuses on classification results: What classification follows from topological concepts (Hurley classification), Lyapunov stability (Gilman classification), and the theory of formal languages and grammars (Kůrka classification)? These classifications suggest that cellular automata be clustered, similar to the classification of partial differential equations into hyperbolic, parabolic and elliptic equations. This part of the book culminates in the question of whether the properties of cellular automata are decidable. Surjectivity and injectivity are examined, and the seminal Garden of Eden theorems are discussed. In turn, the third part focuses on the analysis of cellular automata that inherit distinct properties, often based on mathematical modeling of biological, physical or chemical systems. Linearity is a concept that allows us to define self-similar limit sets. Models for particle motion show how to bridge the gap between cellular automata and partial differential equations (HPP model and ultradiscrete limit). Pattern formation is related to linear cellular automata, to the Bar-Yam model for the Turing pattern, and Greenberg-Hastings automata for excitable media. In addition, models for sand piles, the dynamics of infectious d

"The theme of this book is the use of Cellular Automatas (CAs) to model biological systems, describing 2-D CAs to create populations of "life-like agents" with their own genomes"--Provided by publisher.

This text explores the use of cellular automata in modeling pattern formation in biological systems. It describes several mathematical modeling approaches utilizing cellular automata that can be used to study the dynamics of interacting cell systems both in simulation and in practice. New in this edition are chapters covering cell migration, tissue development, and cancer dynamics, as well as updated references and new research topic suggestions that reflect the rapid development of the field. The book begins with an introduction to pattern-forming principles in biology and the various mathematical modeling techniques that can be used to analyze them. Cellular automaton models are then discussed in detail for different types of cellular processes and interactions, including random movement, cell migration, adhesive cell interaction, alignment and cellular swarming, growth processes, pigment cell pattern formation, tissue development, tumor growth and invasion, and Turing-type patterns and excitable media. In the final chapter, the authors critically discuss possibilities and limitations of the cellular automaton approach in modeling various biological applications, along with future research directions. Suggestions for research projects are provided throughout the book to encourage additional engagement with the material, and an accompanying simulator is available for readers to perform their own simulations on several of the models covered in the text. QR codes are included within the text for easy access to the simulator. With its accessible presentation and interdisciplinary approach, Cellular Automaton Modeling of Biological Pattern Formation is suitable for graduate and advanced undergraduate students in mathematical biology, biological modeling, and biological computing. It will also be a valuable resource for researchers and practitioners in applied mathematics, mathematical biology, computational physics, bioengineering, and computer science. PRAISE FOR THE FIRST EDITION “An ideal guide for someone with a mathematical or physical background to start exploring biological modelling. Importantly, it will also serve as an excellent guide for experienced modellers to innovate and improve their methodologies for analysing simulation results.” —Mathematical Reviews

This fascinating, colourful book offers in-depth insights and first-hand working experiences in the production of art works, using simple computational models with rich morphological behaviour, at the edge of mathematics, computer science, physics and biology. It organically combines ground breaking scientific discoveries in the theory of computation and complex systems with artistic representations of the research results. In this appealing book mathematicians, computer scientists, physicists, and engineers brought together marvelous and esoteric patterns generated by cellular automata, which are arrays of simple machines with complex behavior. Configurations produced by cellular automata uncover mechanics of dynamic patterns formation, their propagation and interaction in natural systems: heart pacemaker, bacterial membrane proteins, chemical rectors, water permeation in soil, compressed gas, cell division, population dynamics, reaction-diffusion media and self-organisation. The book inspires artists to take on cellular automata as a tool of creativity and it persuades scientists to convert their research results into the works of art. The book is lavishly illustrated with visually attractive examples, presented in a lively and easily accessible manner.