Download or read book Numerical Methods for the Chemical Master Equation written by Tudor Udrescu and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Numerical Methods for the Chemical Master Equation written by Stefan Engblom and published by . This book was released on 2006 with total page 23 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Master Equation for Large Biological Networks written by Don Kulasiri and published by Springer. This book was released on 2022-09-13 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the theory and practical applications of the chemical master equation (CME) approach for very large biochemical networks, which provides a powerful general framework for model building in a variety of biological networks. The aim of the book is to not only highlight advanced numerical solution methods for the CME, but also reveal their potential by means of practical examples. The case studies presented are mainly from biology; however, the applications from novel methods are discussed comprehensively, underlining the interdisciplinary approach in simulation and the potential of the chemical master equation approach for modelling bionetworks. The book is a valuable guide for researchers, graduate students, and professionals alike.
Download or read book Numerical Methods and Modeling for Chemical Engineers written by Mark E. Davis and published by Courier Corporation. This book was released on 2013-11-19 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text introduces the quantitative treatment of differential equations arising from modeling physical phenomena in chemical engineering. Coverage includes recent topics such as ODE-IVPs, emphasizing numerical methods and modeling of 1984-era commercial mathematical software.
Download or read book Stochastic Numerical Methods written by Raúl Toral and published by John Wiley & Sons. This book was released on 2014-06-26 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: Stochastic Numerical Methods introduces at Master level the numerical methods that use probability or stochastic concepts to analyze random processes. The book aims at being rather general and is addressed at students of natural sciences (Physics, Chemistry, Mathematics, Biology, etc.) and Engineering, but also social sciences (Economy, Sociology, etc.) where some of the techniques have been used recently to numerically simulate different agent-based models. Examples included in the book range from phase-transitions and critical phenomena, including details of data analysis (extraction of critical exponents, finite-size effects, etc.), to population dynamics, interfacial growth, chemical reactions, etc. Program listings are integrated in the discussion of numerical algorithms to facilitate their understanding. From the contents: Review of Probability Concepts Monte Carlo Integration Generation of Uniform and Non-uniform Random Numbers: Non-correlated Values Dynamical Methods Applications to Statistical Mechanics Introduction to Stochastic Processes Numerical Simulation of Ordinary and Partial Stochastic Differential Equations Introduction to Master Equations Numerical Simulations of Master Equations Hybrid Monte Carlo Generation of n-Dimensional Correlated Gaussian Variables Collective Algorithms for Spin Systems Histogram Extrapolation Multicanonical Simulations
Download or read book Applied Numerical Methods for Chemical Engineers written by Navid Mostoufi and published by Academic Press. This book was released on 2022-05-22 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied Numerical Methods for Chemical Engineers emphasizes the derivation of a variety of numerical methods and their application to the solution of engineering problems, with special attention to problems in the chemical engineering field. These algorithms encompass linear and nonlinear algebraic equations, eigenvalue problems, finite difference methods, interpolation, differentiation and integration, ordinary differential equations, boundary value problems, partial differential equations, and linear and nonlinear regression analysis. MATLAB is adopted as the calculation environment throughout the book because of its ability to perform all the calculations in matrix form, its large library of built-in functions, its strong structural language, and its rich graphical visualization tools. Through this book, students and other users will learn about the basic features, advantages and disadvantages of various numerical methods, learn and practice many useful m-files developed for different numerical methods in addition to the MATLAB built-in solvers, develop and set up mathematical models for problems commonly encountered in chemical engineering, and solve chemical engineering related problems through examples and after-chapter problems with MATLAB by creating application m-files. Clearly and concisely develops a variety of numerical methods and applies them to the solution of chemical engineering problems. These algorithms encompass linear and nonlinear algebraic equations, eigenvalue problems, finite difference methods, interpolation, linear and nonlinear regression analysis, differentiation and integration, ordinary differential equations, boundary value problems, and partial differential equations Includes systematic development of the calculus of finite differences and its application to the integration of differential equations, and a detailed discussion of nonlinear regression analysis, with powerful programs for implementing multivariable nonlinear regression and statistical analysis of the results Makes extensive use of MATLAB and Excel, with most of the methods discussed implemented into general MATLAB functions. All the MATLAB-language scripts developed are listed in the text and included in the book’s companion website Includes numerous real-world examples and homework problems drawn from the field of chemical and biochemical engineering
Download or read book Numerical Methods for Chemical Engineering written by Kenneth J. Beers and published by Cambridge University Press. This book was released on 2006-10-30 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: Suitable for a first year graduate course, this textbook unites the applications of numerical mathematics and scientific computing to the practice of chemical engineering. Written in a pedagogic style, the book describes basic linear and nonlinear algebric systems all the way through to stochastic methods, Bayesian statistics and parameter estimation. These subjects are developed at a level of mathematics suitable for graduate engineering study without the exhaustive level of the theoretical mathematical detail. The implementation of numerical methods in MATLAB is integrated within each chapter and numerous examples in chemical engineering are provided, with a library of corresponding MATLAB programs. This book will provide the graduate student with essential tools required by industry and research alike. Supplementary material includes solutions to homework problems set in the text, MATLAB programs and tutorial, lecture slides, and complicated derivations for the more advanced reader. These are available online at www.cambridge.org/9780521859714.
Download or read book Tensor Numerical Methods in Scientific Computing written by Boris N. Khoromskij and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-06-11 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: The most difficult computational problems nowadays are those of higher dimensions. This research monograph offers an introduction to tensor numerical methods designed for the solution of the multidimensional problems in scientific computing. These methods are based on the rank-structured approximation of multivariate functions and operators by using the appropriate tensor formats. The old and new rank-structured tensor formats are investigated. We discuss in detail the novel quantized tensor approximation method (QTT) which provides function-operator calculus in higher dimensions in logarithmic complexity rendering super-fast convolution, FFT and wavelet transforms. This book suggests the constructive recipes and computational schemes for a number of real life problems described by the multidimensional partial differential equations. We present the theory and algorithms for the sinc-based separable approximation of the analytic radial basis functions including Green’s and Helmholtz kernels. The efficient tensor-based techniques for computational problems in electronic structure calculations and for the grid-based evaluation of long-range interaction potentials in multi-particle systems are considered. We also discuss the QTT numerical approach in many-particle dynamics, tensor techniques for stochastic/parametric PDEs as well as for the solution and homogenization of the elliptic equations with highly-oscillating coefficients. Contents Theory on separable approximation of multivariate functions Multilinear algebra and nonlinear tensor approximation Superfast computations via quantized tensor approximation Tensor approach to multidimensional integrodifferential equations
Download or read book Numerical Methods for Chemical Engineers with MATLAB Applications written by A. Constantinides and published by Prentice Hall. This book was released on 1999 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Master numerical methods using MATLAB, today's leading software for problem solving. This complete guide to numerical methods in chemical engineering is the first to take full advantage of MATLAB's powerful calculation environment. Every chapter contains several examples using general MATLAB functions that implement the method and can also be applied to many other problems in the same category. The authors begin by introducing the solution of nonlinear equations using several standard approaches, including methods of successive substitution and linear interpolation; the Wegstein method, the Newton-Raphson method; the Eigenvalue method; and synthetic division algorithms. With these fundamentals in hand, they move on to simultaneous linear algebraic equations, covering matrix and vector operations; Cramer's rule; Gauss methods; the Jacobi method; and the characteristic-value problem. Additional coverage includes: Finite difference methods, and interpolation of equally and unequally spaced points Numerical differentiation and integration, including differentiation by backward, forward, and central finite differences; Newton-Cotes formulas; and the Gauss Quadrature Two detailed chapters on ordinary and partial differential equations Linear and nonlinear regression analyses, including least squares, estimated vector of parameters, method of steepest descent, Gauss-Newton method, Marquardt Method, Newton Method, and multiple nonlinear regression The numerical methods covered here represent virtually all of those commonly used by practicing chemical engineers. The focus on MATLAB enables readers to accomplish more, with less complexity, than was possible with traditional FORTRAN. For those unfamiliar with MATLAB, a brief introduction is provided as an Appendix. Over 60+ MATLAB examples, methods, and function scripts are covered, and all of them are included on the book's CD
Download or read book Problem Solving in Chemical Engineering with Numerical Methods written by Michael B. Cutlip and published by Prentice Hall. This book was released on 1999 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: "A companion book including interactive software for students and professional engineers who want to utilize problem-solving software to effectively and efficiently obtain solutions to realistic and complex problems. An Invaluable reference book that discusses and Illustrates practical numerical problem solving in the core subject areas of Chemical Engineering. Problem Solving in Chemical Engineering with Numerical Methods provides an extensive selection of problems that require numerical solutions from throughout the core subject areas of chemical engineering. Many are completely solved or partially solved using POLYMATH as the representative mathematical problem-solving software, Ten representative problems are also solved by Excel, Maple, Mathcad, MATLAB, and Mathematica. All problems are clearly organized and all necessary data are provided. Key equations are presented or derived. Practical aspects of efficient and effective numerical problem solving are emphasized. Many complete solutions are provided within the text and on the CD-ROM for use in problem-solving exercises."--BOOK JACKET.Title Summary field provided by Blackwell North America, Inc. All Rights Reserved
Download or read book An Introduction to Numerical Methods for Chemical Engineers written by James B. Riggs and published by . This book was released on 1988 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this second edition, the author has added new problems, and updated the accompanying FORTRAN computer programs. New library programs are included that perform singular value decomposition of a matrix, and apply a conjugate gradient optimizer. Discussions have been added on the effect of stiffness on initial value problems, and order/variable step size integration. An IBM compatible disk is included, and an Apple and Macintosh disk as well as a solutions manual are available on request. Annotation copyright by Book News, Inc., Portland, OR
Download or read book Stochastic Processes Multiscale Modeling and Numerical Methods for Computational Cellular Biology written by David Holcman and published by Springer. This book was released on 2017-10-04 with total page 377 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the modeling and mathematical analysis of stochastic dynamical systems along with their simulations. The collected chapters will review fundamental and current topics and approaches to dynamical systems in cellular biology. This text aims to develop improved mathematical and computational methods with which to study biological processes. At the scale of a single cell, stochasticity becomes important due to low copy numbers of biological molecules, such as mRNA and proteins that take part in biochemical reactions driving cellular processes. When trying to describe such biological processes, the traditional deterministic models are often inadequate, precisely because of these low copy numbers. This book presents stochastic models, which are necessary to account for small particle numbers and extrinsic noise sources. The complexity of these models depend upon whether the biochemical reactions are diffusion-limited or reaction-limited. In the former case, one needs to adopt the framework of stochastic reaction-diffusion models, while in the latter, one can describe the processes by adopting the framework of Markov jump processes and stochastic differential equations. Stochastic Processes, Multiscale Modeling, and Numerical Methods for Computational Cellular Biology will appeal to graduate students and researchers in the fields of applied mathematics, biophysics, and cellular biology.
Download or read book Tensor Numerical Methods in Quantum Chemistry written by Venera Khoromskaia and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-06-11 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: The conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by using parallel architectures and high performance computing. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multivariate functions and operators discretized on Cartesian grids thus reducing solution of the multidimensional integral-differential equations to 1D calculations. We explain basic tensor formats and algorithms and show how the orthogonal Tucker tensor decomposition originating from chemometrics made a revolution in numerical analysis, relying on rigorous results from approximation theory. Benefits of tensor approach are demonstrated in ab-initio electronic structure calculations. Computation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, thus enabling accurate MATLAB calculations on a laptop using 3D uniform tensor grids of the size up to 1015. Fast tensor-based Hartree-Fock solver, incorporating the grid-based low-rank factorization of the two-electron integrals, serves as a prerequisite for economical calculation of the excitation energies of molecules. Tensor approach suggests efficient grid-based numerical treatment of the long-range electrostatic potentials on large 3D finite lattices with defects.The novel range-separated tensor format applies to interaction potentials of multi-particle systems of general type opening the new prospects for tensor methods in scientific computing. This research monograph presenting the modern tensor techniques applied to problems in quantum chemistry may be interesting for a wide audience of students and scientists working in computational chemistry, material science and scientific computing.
Download or read book Numerical Solution of the Fokker Planck Approximation of the Chemical Master Equation written by Paul Sjöberg and published by . This book was released on 2005 with total page 20 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Numerical Methods for Solving Partial Differential Equations written by George F. Pinder and published by John Wiley & Sons. This book was released on 2018-02-05 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive guide to numerical methods for simulating physical-chemical systems This book offers a systematic, highly accessible presentation of numerical methods used to simulate the behavior of physical-chemical systems. Unlike most books on the subject, it focuses on methodology rather than specific applications. Written for students and professionals across an array of scientific and engineering disciplines and with varying levels of experience with applied mathematics, it provides comprehensive descriptions of numerical methods without requiring an advanced mathematical background. Based on its author’s more than forty years of experience teaching numerical methods to engineering students, Numerical Methods for Solving Partial Differential Equations presents the fundamentals of all of the commonly used numerical methods for solving differential equations at a level appropriate for advanced undergraduates and first-year graduate students in science and engineering. Throughout, elementary examples show how numerical methods are used to solve generic versions of equations that arise in many scientific and engineering disciplines. In writing it, the author took pains to ensure that no assumptions were made about the background discipline of the reader. Covers the spectrum of numerical methods that are used to simulate the behavior of physical-chemical systems that occur in science and engineering Written by a professor of engineering with more than forty years of experience teaching numerical methods to engineers Requires only elementary knowledge of differential equations and matrix algebra to master the material Designed to teach students to understand, appreciate and apply the basic mathematics and equations on which Mathcad and similar commercial software packages are based Comprehensive yet accessible to readers with limited mathematical knowledge, Numerical Methods for Solving Partial Differential Equations is an excellent text for advanced undergraduates and first-year graduate students in the sciences and engineering. It is also a valuable working reference for professionals in engineering, physics, chemistry, computer science, and applied mathematics.
Download or read book Maths in Chemistry written by Prerna Bansal and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-09-02 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Numerical methods are the mathematical procedures that approximate the solution of complex mathematical problems into much simpler form and which find a wide variety of use while solving complex Physical Chemistry problems. This book aims to aide in understanding of such numerical methods including solving complex differential equations and numerical differentiation & integration. Moreover it also explains various statistical tests used in Analytical Chemistry for data analysis. The author has tried to include as many example from Chemistry problems for a better understanding of the methods.
Download or read book Chemical Master Equation for Large Biological Networks written by Don Kulasiri and published by Springer Nature. This book was released on 2021-09-12 with total page 231 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the theory and practical applications of the chemical master equation (CME) approach for very large biochemical networks, which provides a powerful general framework for model building in a variety of biological networks. The aim of the book is to not only highlight advanced numerical solution methods for the CME, but also reveal their potential by means of practical examples. The case studies presented are mainly from biology; however, the applications from novel methods are discussed comprehensively, underlining the interdisciplinary approach in simulation and the potential of the chemical master equation approach for modelling bionetworks. The book is a valuable guide for researchers, graduate students, and professionals alike.
