Application of Optimization Algorithms in Chemistry PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Application of Optimization Algorithms in Chemistry PDF full book. Access full book title Application of Optimization Algorithms in Chemistry by Jorge M. C. Marques. Download full books in PDF and EPUB format.
Author: Jorge M. C. Marques
Publisher: Frontiers Media SA
ISBN: 2889637107
Category :
Languages : en
Pages : 145
Get Book Here
Book Description
This eBook is dedicated to Prof. William L. Hase, who passed away on Monday, March 23, 2020.
Author: Jorge M. C. Marques
Publisher: Frontiers Media SA
ISBN: 2889637107
Category :
Languages : en
Pages : 145
Get Book Here
Book Description
This eBook is dedicated to Prof. William L. Hase, who passed away on Monday, March 23, 2020.
Author: Vassilios S. Vassiliadis
Publisher: Cambridge University Press
ISBN: 1107106834
Category : Mathematics
Languages : en
Pages : 353
Get Book Here
Book Description
"Optimization for Chemical and Biochemical Engineering - Theory, Algorithms, Modeling and Applications"--
Author: Christodoulos A. Floudas
Publisher: Springer Science & Business Media
ISBN: 9780792361558
Category : Computers
Languages : en
Pages : 362
Get Book Here
Book Description
Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches covers recent developments in optimization techniques for addressing several computational chemistry and biology problems. A tantalizing problem that cuts across the fields of computational chemistry, biology, medicine, engineering and applied mathematics is how proteins fold. Global and local optimization provide a systematic framework of conformational searches for the prediction of three-dimensional protein structures that represent the global minimum free energy, as well as low-energy biomolecular conformations. Each contribution in the book is essentially expository in nature, but of scholarly treatment. The topics covered include advances in local and global optimization approaches for molecular dynamics and modeling, distance geometry, protein folding, molecular structure refinement, protein and drug design, and molecular and peptide docking. Audience: The book is addressed not only to researchers in mathematical programming, but to all scientists in various disciplines who use optimization methods in solving problems in computational chemistry and biology.
Author: Suman Dutta
Publisher: Cambridge University Press
ISBN: 1316691799
Category : Technology & Engineering
Languages : en
Pages : 384
Get Book Here
Book Description
Optimization is used to determine the most appropriate value of variables under given conditions. The primary focus of using optimisation techniques is to measure the maximum or minimum value of a function depending on the circumstances. This book discusses problem formulation and problem solving with the help of algorithms such as secant method, quasi-Newton method, linear programming and dynamic programming. It also explains important chemical processes such as fluid flow systems, heat exchangers, chemical reactors and distillation systems using solved examples. The book begins by explaining the fundamental concepts followed by an elucidation of various modern techniques including trust-region methods, Levenberg–Marquardt algorithms, stochastic optimization, simulated annealing and statistical optimization. It studies the multi-objective optimization technique and its applications in chemical engineering and also discusses the theory and applications of various optimization software tools including LINGO, MATLAB, MINITAB and GAMS.
Author: Lorenz T. Biegler
Publisher: SIAM
ISBN: 0898719380
Category : Science
Languages : en
Pages : 411
Get Book Here
Book Description
This book addresses modern nonlinear programming (NLP) concepts and algorithms, especially as they apply to challenging applications in chemical process engineering. The author provides a firm grounding in fundamental NLP properties and algorithms, and relates them to real-world problem classes in process optimization, thus making the material understandable and useful to chemical engineers and experts in mathematical optimization.
Author: Gade Pandu Rangaiah
Publisher: John Wiley & Sons
ISBN: 1118341686
Category : Science
Languages : en
Pages : 487
Get Book Here
Book Description
For reasons both financial and environmental, there is a perpetual need to optimize the design and operating conditions of industrial process systems in order to improve their performance, energy efficiency, profitability, safety and reliability. However, with most chemical engineering application problems having many variables with complex inter-relationships, meeting these optimization objectives can be challenging. This is where Multi-Objective Optimization (MOO) is useful to find the optimal trade-offs among two or more conflicting objectives. This book provides an overview of the recent developments and applications of MOO for modeling, design and operation of chemical, petrochemical, pharmaceutical, energy and related processes. It then covers important theoretical and computational developments as well as specific applications such as metabolic reaction networks, chromatographic systems, CO2 emissions targeting for petroleum refining units, ecodesign of chemical processes, ethanol purification and cumene process design. Multi-Objective Optimization in Chemical Engineering: Developments and Applications is an invaluable resource for researchers and graduate students in chemical engineering as well as industrial practitioners and engineers involved in process design, modeling and optimization.
Author: Gade Pandu Rangaiah
Publisher: World Scientific
ISBN: 9812836527
Category : Technology & Engineering
Languages : en
Pages : 454
Get Book Here
Book Description
Optimization has been playing a key role in the design, planning and operation of chemical and related processes for nearly half a century. Although process optimization for multiple objectives was studied by several researchers back in the 1970s and 1980s, it has attracted active research in the last 10 years, spurred by the new and effective techniques for multi-objective optimization. In order to capture this renewed interest, this monograph presents the recent and ongoing research in multi-optimization techniques and their applications in chemical engineering. Following a brief introduction and general review on the development of multi-objective optimization applications in chemical engineering since 2000, the book gives a description of selected multi-objective techniques and then goes on to discuss chemical engineering applications. These applications are from diverse areas within chemical engineering, and are presented in detail. All chapters will be of interest to researchers in multi-objective optimization and/or chemical engineering; they can be read individually and used in one''s learning and research. Several exercises are included at the end of many chapters, for use by both practicing engineers and students.
Author: Vasant, Pandian
Publisher: IGI Global
ISBN: 1522529918
Category : Computers
Languages : en
Pages : 948
Get Book Here
Book Description
Modern optimization approaches have attracted an increasing number of scientists, decision makers, and researchers. As new issues in this field emerge, different optimization methodologies must be developed and implemented. The Handbook of Research on Emergent Applications of Optimization Algorithms is an authoritative reference source for the latest scholarly research on modern optimization techniques for solving complex problems of global optimization and their applications in economics and engineering. Featuring coverage on a broad range of topics and perspectives such as hybrid systems, non-cooperative games, and cryptography, this publication is ideally designed for students, researchers, and engineers interested in emerging developments in optimization algorithms.
Author: Christodoulos A. Floudas
Publisher: Springer Science & Business Media
ISBN: 9780792360148
Category : Computers
Languages : en
Pages : 774
Get Book Here
Book Description
This book provides a unified and insightful treatment of deterministic global optimization. It introduces theoretical and algorithmic advances that address the computation and characterization of global optima, determine valid lower and upper bounds on the global minima and maxima, and enclose all solutions of nonlinear constrained systems of equations. Among its special features, the book: Introduces the fundamentals of deterministic global optimization; Provides a thorough treatment of decomposition-based global optimization approaches for biconvex and bilinear problems; Covers global optimization methods for generalized geometric programming problems Presents in-depth global optimization algorithms for general twice continuously differentiable nonlinear problems; Provides a detailed treatment of global optimization methods for mixed-integer nonlinear problems; Develops global optimization approaches for the enclosure of all solutions of nonlinear constrained systems of equations; Includes many important applications from process design, synthesis, control, and operations, phase equilibrium, design under uncertainty, parameter estimation, azeotrope prediction, structure prediction in clusters and molecules, protein folding, and peptide docking. Audience: This book can be used as a textbook in graduate-level courses and as a desk reference for researchers in all branches of engineering and applied science, applied mathematics, industrial engineering, operations research, computer science, economics, computational chemistry and molecular biology.
Author: Christodoulos A. Floudas
Publisher: Springer Science & Business Media
ISBN: 1461334373
Category : Mathematics
Languages : en
Pages : 638
Get Book Here
Book Description
Optimization problems abound in most fields of science, engineering, and tech nology. In many of these problems it is necessary to compute the global optimum (or a good approximation) of a multivariable function. The variables that define the function to be optimized can be continuous and/or discrete and, in addition, many times satisfy certain constraints. Global optimization problems belong to the complexity class of NP-hard prob lems. Such problems are very difficult to solve. Traditional descent optimization algorithms based on local information are not adequate for solving these problems. In most cases of practical interest the number of local optima increases, on the aver age, exponentially with the size of the problem (number of variables). Furthermore, most of the traditional approaches fail to escape from a local optimum in order to continue the search for the global solution. Global optimization has received a lot of attention in the past ten years, due to the success of new algorithms for solving large classes of problems from diverse areas such as engineering design and control, computational chemistry and biology, structural optimization, computer science, operations research, and economics. This book contains refereed invited papers presented at the conference on "State of the Art in Global Optimization: Computational Methods and Applications" held at Princeton University, April 28-30, 1995. The conference presented current re search on global optimization and related applications in science and engineering. The papers included in this book cover a wide spectrum of approaches for solving global optimization problems and applications.
