Adaption of Simulated Annealing to Chemical Optimization Problems
eBook - PDF

Adaption of Simulated Annealing to Chemical Optimization Problems

  1. 472 pages
  2. English
  3. PDF
  4. Available on iOS & Android
eBook - PDF

Adaption of Simulated Annealing to Chemical Optimization Problems

About this book

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.

Frequently asked questions

Yes, you can cancel anytime from the Subscription tab in your account settings on the Perlego website. Your subscription will stay active until the end of your current billing period. Learn how to cancel your subscription.
At the moment all of our mobile-responsive ePub books are available to download via the app. Most of our PDFs are also available to download and we're working on making the final remaining ones downloadable now. Learn more here.
Perlego offers two plans: Essential and Complete
  • Essential is ideal for learners and professionals who enjoy exploring a wide range of subjects. Access the Essential Library with 800,000+ trusted titles and best-sellers across business, personal growth, and the humanities. Includes unlimited reading time and Standard Read Aloud voice.
  • Complete: Perfect for advanced learners and researchers needing full, unrestricted access. Unlock 1.4M+ books across hundreds of subjects, including academic and specialized titles. The Complete Plan also includes advanced features like Premium Read Aloud and Research Assistant.
Both plans are available with monthly, semester, or annual billing cycles.
We are an online textbook subscription service, where you can get access to an entire online library for less than the price of a single book per month. With over 1 million books across 1000+ topics, we’ve got you covered! Learn more here.
Look out for the read-aloud symbol on your next book to see if you can listen to it. The read-aloud tool reads text aloud for you, highlighting the text as it is being read. You can pause it, speed it up and slow it down. Learn more here.
Yes! You can use the Perlego app on both iOS or Android devices to read anytime, anywhere — even offline. Perfect for commutes or when you’re on the go.
Please note we cannot support devices running on iOS 13 and Android 7 or earlier. Learn more about using the app.
Yes, you can access Adaption of Simulated Annealing to Chemical Optimization Problems by J.H. Kalivas in PDF and/or ePUB format, as well as other popular books in Technology & Engineering & Physical & Theoretical Chemistry. We have over one million books available in our catalogue for you to explore.

Table of contents

  1. Front Cover
  2. Adaption of simulated annealing to chemical optimization problems
  3. Copyright Page
  4. Contents
  5. Introduction
  6. Chapter 1. Simulated annealing and generalizations
  7. Chapter 2. Comparison of algorithms for wavelength selection
  8. Chapter 3. Robust principal component analysis and constrained background bilinearization for quantitative analysis
  9. Chapter 4. Kalman filter quantitative resolution of overlapped shifted peaks after optimal alignment by simulated annealing
  10. Chapter 5. Selection of molecular descriptors for quantitative structureactivity relationships
  11. Chapter 6. Fundamentals of cluster analysis using simulated annealing
  12. Chapter 7. Classification of materials
  13. Chapter 8. Chemical batch process scheduling
  14. Chapter 9. Nuclear fuel management
  15. Chapter 10. Design of cost-effective emission control strategies
  16. Chapter 11. Determination of biexponential fluorescence lifetimes by using simulated annealing and simplex searching
  17. Chapter 12. Simulated annealing applied to crystallographic structure refinement
  18. Chapter 13. Multi-dimensional searches in macromolecular X-ray crystallography
  19. Chapter 14. Simulated annealing in the calculation of NMR structures
  20. Chapter 15. Structural models of tetrahedrally bonded amorphous materials
  21. Chapter 16. Conformational analysis of flexible molecules
  22. Chapter 17. Simulated annealing-optimal histogram applications to the protein folding problem
  23. Chapter 18. Optimization of linear and non-linear parameters in a trial wavefunction by the method of simulated annealing
  24. Chapter 19. Annealing to a moving target: first principles molecular dynamics
  25. Chapter 20. A MATLAB algorithm for optimization of an arbitrary multivariate function
  26. Epilogue
  27. Index