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Spectral Methods in Chemistry and Physics
This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resoluti...
Reviews in Computational Chemistry, Volume 15
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society
Computation and Modeling for Fractional Order Systems
Computation and Modeling for Fractional Order Systems provides readers with problem-solving techniques for obtaining exact and/or approximate solutions of governing equations arising in fractional dynamical systems presented using various analytical, semi-analytical, and numerical methods. In this regard, this book brings together contemporary and computationally efficient methods for investigating real-world fractional order systems in one volume. Fractional calculus has gained increasing popularity and relevance over the last few decades, due to its well-established applications in various fields of science and engineering. It deals with the differential and integral operators with non-int...
Orthogonal Polynomials in MATLAB
Techniques for generating orthogonal polynomials numerically have appeared only recently, within the last 30 or so years.?Orthogonal Polynomials in MATLAB: Exercises and Solutions?describes these techniques and related applications, all supported by MATLAB programs, and presents them in a unique format of exercises and solutions designed by the author to stimulate participation. Important computational problems in the physical sciences are included as models for readers to solve their own problems.?
A Software Repository for Orthogonal Polynomials
A Software Repository for Orthogonal Polynomials is the first book that provides graphs and references to online datasets that enable the generation of a large number of orthogonal polynomials with classical, quasi-classical, and nonclassical weight functions. Useful numerical tables are also included. The book will be of interest to scientists, engineers, applied mathematicians, and statisticians.????
Your Money and Your Brain
Drawing on the latest scientific research in the field of neuroeconomics, this entertaining book shows how the brain influences financial decisions and can make one rich. 20 illustrations.
A Software Repository for Gaussian Quadratures and Christoffel Functions
This companion piece to the author’s 2018 book, A Software Repository for Orthogonal Polynomials, focuses on Gaussian quadrature and the related Christoffel function. The book makes Gauss quadrature rules of any order easily accessible for a large variety of weight functions and for arbitrary precision. It also documents and illustrates known as well as original approximations for Gauss quadrature weights and Christoffel functions. The repository contains 60+ datasets, each dealing with a particular weight function. Included are classical, quasi-classical, and, most of all, nonclassical weight functions and associated orthogonal polynomials. Scientists, engineers, applied mathematicians, and statisticians will find the book of interest.
Directory of Graduate Research
Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
