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Application Of Optimization Algorithms In Chemistry
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Book Synopsis Application of Optimization Algorithms in Chemistry by : Jorge M. C. Marques
Download or read book Application of Optimization Algorithms in Chemistry written by Jorge M. C. Marques and published by Frontiers Media SA. This book was released on 2020-06-08 with total page 145 pages. Available in PDF, EPUB and Kindle. Book excerpt: This eBook is dedicated to Prof. William L. Hase, who passed away on Monday, March 23, 2020.
Book Synopsis Stochastic Global Optimization by : Gade Pandu Rangaiah
Download or read book Stochastic Global Optimization written by Gade Pandu Rangaiah and published by World Scientific. This book was released on 2010 with total page 722 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ch. 1. Introduction / Gade Pandu Rangaiah -- ch. 2. Formulation and illustration of Luus-Jaakola optimization procedure / Rein Luus -- ch. 3. Adaptive random search and simulated annealing optimizers : algorithms and application issues / Jacek M. Jezowski, Grzegorz Poplewski and Roman Bochenek -- ch. 4. Genetic algorithms in process engineering : developments and implementation issues / Abdunnaser Younes, Ali Elkamel and Shawki Areibi -- ch. 5. Tabu search for global optimization of problems having continuous variables / Sim Mong Kai, Gade Pandu Rangaiah and Mekapati Srinivas -- ch. 6. Differential evolution : method, developments and chemical engineering applications / Chen Shaoqiang, Gade Pandu Rangaiah and Mekapati Srinivas -- ch. 7. Ant colony optimization : details of algorithms suitable for process engineering / V.K. Jayaraman [und weitere] -- ch. 8. Particle swarm optimization for solving NLP and MINLP in chemical engineering / Bassem Jarboui [und weitere] -- ch. 9. An introduction to the harmony search algorithm / Gordon Ingram and Tonghua Zhang -- ch. 10. Meta-heuristics : evaluation and reporting techniques / Abdunnaser Younes, Ali Elkamel and Shawki Areibi -- ch. 11. A hybrid approach for constraint handling in MINLP optimization using stochastic algorithms / G.A. Durand [und weitere] -- ch. 12. Application of Luus-Jaakola optimization procedure to model reduction, parameter estimation and optimal control / Rein Luus -- ch. 13. Phase stability and equilibrium calculations in reactive systems using differential evolution and tabu search / Adrian Bonilla-Petriciolet [und weitere] -- ch. 14. Differential evolution with tabu list for global optimization : evaluation of two versions on benchmark and phase stability problems / Mekapati Srinivas and Gade Pandu Rangaiah -- ch. 15. Application of adaptive random search optimization for solving industrial water allocation problem / Grzegorz Poplewski and Jacek M. Jezowski -- ch. 16. Genetic algorithms formulation for retrofitting heat exchanger network / Roman Bochenek and Jacek M. Jezowski -- ch. 17. Ant colony optimization for classification and feature selection / V.K. Jayaraman [und weitere] -- ch. 18. Constraint programming and genetic algorithm / Prakash R. Kotecha, Mani Bhushan and Ravindra D. Gudi -- ch. 19. Schemes and implementations of parallel stochastic optimization algorithms application of tabu search to chemical engineering problems / B. Lin and D.C. Miller
Author :Christodoulos A. Floudas Publisher :Springer Science & Business Media ISBN 13 :147573218X Total Pages :341 pages Book Rating :4.4/5 (757 download)
Book Synopsis Optimization in Computational Chemistry and Molecular Biology by : Christodoulos A. Floudas
Download or read book Optimization in Computational Chemistry and Molecular Biology written by Christodoulos A. Floudas and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 :Christodoulos A. Floudas Publisher :Springer Science & Business Media ISBN 13 :1461334373 Total Pages :638 pages Book Rating :4.4/5 (613 download)
Book Synopsis State of the Art in Global Optimization by : Christodoulos A. Floudas
Download or read book State of the Art in Global Optimization written by Christodoulos A. Floudas and published by Springer Science & Business Media. This book was released on 2013-12-01 with total page 638 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Stochastic Global Optimization written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Optimization in Chemical Engineering by : Suman Dutta
Download or read book Optimization in Chemical Engineering written by Suman Dutta and published by Cambridge University Press. This book was released on 2016-03-11 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Multi-Objective Optimization written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Multi-Objective Optimization by : Gade Pandu Rangaiah
Download or read book Multi-Objective Optimization written by Gade Pandu Rangaiah and published by World Scientific. This book was released on 2009 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Multi-Objective Optimization in Chemical Engineering by : Gade Pandu Rangaiah
Download or read book Multi-Objective Optimization in Chemical Engineering written by Gade Pandu Rangaiah and published by John Wiley & Sons. This book was released on 2013-03-20 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Global Optimization in Action by : János D. Pintér
Download or read book Global Optimization in Action written by János D. Pintér and published by Springer Science & Business Media. This book was released on 1995-11-30 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: In science, engineering and economics, decision problems are frequently modelled by optimizing the value of a (primary) objective function under stated feasibility constraints. In many cases of practical relevance, the optimization problem structure does not warrant the global optimality of local solutions; hence, it is natural to search for the globally best solution(s). Global Optimization in Action provides a comprehensive discussion of adaptive partition strategies to solve global optimization problems under very general structural requirements. A unified approach to numerous known algorithms makes possible straightforward generalizations and extensions, leading to efficient computer-based implementations. A considerable part of the book is devoted to applications, including some generic problems from numerical analysis, and several case studies in environmental systems analysis and management. The book is essentially self-contained and is based on the author's research, in cooperation (on applications) with a number of colleagues. Audience: Professors, students, researchers and other professionals in the fields of operations research, management science, industrial and applied mathematics, computer science, engineering, economics and the environmental sciences.
Book Synopsis Chemical Optimization Algorithm for Fuzzy Controller Design by : Leslie Astudillo
Download or read book Chemical Optimization Algorithm for Fuzzy Controller Design written by Leslie Astudillo and published by Springer Science & Business Media. This book was released on 2014-03-13 with total page 81 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this book, a novel optimization method inspired by a paradigm from nature is introduced. The chemical reactions are used as a paradigm to propose an optimization method that simulates these natural processes. The proposed algorithm is described in detail and then a set of typical complex benchmark functions is used to evaluate the performance of the algorithm. Simulation results show that the proposed optimization algorithm can outperform other methods in a set of benchmark functions. This chemical reaction optimization paradigm is also applied to solve the tracking problem for the dynamic model of a unicycle mobile robot by integrating a kinematic and a torque controller based on fuzzy logic theory. Computer simulations are presented confirming that this optimization paradigm is able to outperform other optimization techniques applied to this particular robot application.
Book Synopsis Optimization for Chemical and Biochemical Engineering by : Vassilios S. Vassiliadis
Download or read book Optimization for Chemical and Biochemical Engineering written by Vassilios S. Vassiliadis and published by Cambridge University Press. This book was released on 2021-01-14 with total page 353 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Optimization for Chemical and Biochemical Engineering - Theory, Algorithms, Modeling and Applications"--
Book Synopsis Multi-objective Optimization: Techniques And Applications In Chemical Engineering (Second Edition) by : Rangaiah Gade Pandu
Download or read book Multi-objective Optimization: Techniques And Applications In Chemical Engineering (Second Edition) written by Rangaiah Gade Pandu and published by World Scientific. This book was released on 2016-12-22 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Optimization is now essential in the design, planning and operation of chemical and related processes. Although process optimization for multiple objectives was studied in the 1970s and 1980s, it has attracted active research in the last 15 years, spurred by the new and effective techniques for multi-objective optimization (MOO). To capture this renewed interest, this monograph presents recent research in MOO techniques and applications in chemical engineering. Following a brief introduction and review of MOO applications in chemical engineering since 2000, the book presents selected MOO techniques and many chemical engineering applications in detail. In this second edition, several chapters from the first edition have been updated, one chapter is completely revised and three new chapters have been added. One of the new chapters describes three MS Excel programs useful for MOO of application problems. All the chapters will be of interest to researchers in MOO and/or chemical engineering. Several exercises are included at the end of many chapters, for use by both practicing engineers and students.
Book Synopsis Adaption of Simulated Annealing to Chemical Optimization Problems by : J.H. Kalivas
Download or read book Adaption of Simulated Annealing to Chemical Optimization Problems written by J.H. Kalivas and published by Elsevier. This book was released on 1995-08-01 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: Optimization problems occurring regularly in chemistry, vary from selecting the best wavelength design for optimal spectroscopic concentration predictions to geometry optimization of atomic clusters and protein folding. Numerous optimization tactics have been explored to solve these problems. While most optimizers maintain the ability to locate global optima for simple problems, few are robust against local optima convergence with regard to difficult or large scale optimization problems. Simulated annealing (SA) has shown a great tolerance to local optima convergence and is often called a global optimizer. The optimizaton algorithm has found wide use in numerous areas such as engineering, computer science, communication, image recognition, operation research, physics, and biology. Recently, SA and variations thereof have shown considerable success in solving numerous chemical optimization problems. The main thrust of this book is to demonstrate the use of SA in a wide range of chemical problems. The potentiality of SA, GSA and other modifications of SA to serve specific needs in a variety of chemical disciplines are covered. A detailed discussion on SA and GSA is given in Chapter 1, presenting the theoretical framework from which a computer program can be written by the reader. The remainder of the book describes applications of SA type algorithms to a diverse set of chemical problems. The final chapter contains an algorithm for GSA written in the MatLab programming environment. This program can be easily adapted to any optimization problem and with only slight modifications, can be altered to perform SA. A general flowchart is also given.
Author :Christodoulos A. Floudas Publisher :Springer Science & Business Media ISBN 13 :147574949X Total Pages :741 pages Book Rating :4.4/5 (757 download)
Book Synopsis Deterministic Global Optimization by : Christodoulos A. Floudas
Download or read book Deterministic Global Optimization written by Christodoulos A. Floudas and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 741 pages. Available in PDF, EPUB and Kindle. Book excerpt: The vast majority of important applications in science, engineering and applied science are characterized by the existence of multiple minima and maxima, as well as first, second and higher order saddle points. The area of Deterministic Global Optimization introduces theoretical, algorithmic and computational ad vances that (i) address the computation and characterization of global minima and maxima, (ii) determine valid lower and upper bounds on the global minima and maxima, and (iii) address the enclosure of all solutions of nonlinear con strained systems of equations. Global optimization applications are widespread in all disciplines and they range from atomistic or molecular level to process and product level representations. The primary goal of this book is three fold : first, to introduce the reader to the basics of deterministic global optimization; second, to present important theoretical and algorithmic advances for several classes of mathematical prob lems that include biconvex and bilinear; problems, signomial problems, general twice differentiable nonlinear problems, mixed integer nonlinear problems, and the enclosure of all solutions of nonlinear constrained systems of equations; and third, to tie the theory and methods together with a variety of important applications.
Book Synopsis Handbook of Research on Emergent Applications of Optimization Algorithms by : Vasant, Pandian
Download or read book Handbook of Research on Emergent Applications of Optimization Algorithms written by Vasant, Pandian and published by IGI Global. This book was released on 2017-10-31 with total page 812 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Nature-Inspired Computing by : Nazmul H. Siddique
Download or read book Nature-Inspired Computing written by Nazmul H. Siddique and published by CRC Press. This book was released on 2017-05-19 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nature-Inspired Computing: Physics and Chemistry-Based Algorithms provides a comprehensive introduction to the methodologies and algorithms in nature-inspired computing, with an emphasis on applications to real-life engineering problems. The research interest for Nature-inspired Computing has grown considerably exploring different phenomena observed in nature and basic principles of physics, chemistry, and biology. The discipline has reached a mature stage and the field has been well-established. This endeavour is another attempt at investigation into various computational schemes inspired from nature, which are presented in this book with the development of a suitable framework and industrial applications. Designed for senior undergraduates, postgraduates, research students, and professionals, the book is written at a comprehensible level for students who have some basic knowledge of calculus and differential equations, and some exposure to optimization theory. Due to the focus on search and optimization, the book is also appropriate for electrical, control, civil, industrial and manufacturing engineering, business, and economics students, as well as those in computer and information sciences. With the mathematical and programming references and applications in each chapter, the book is self-contained, and can also serve as a reference for researchers and scientists in the fields of system science, natural computing, and optimization.
