Adaption of simulated annealing to chemical optimization problems:
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Amsterdam
Elsevier
1995
|
| Schriftenreihe: | Data handling in science and technology
v. 15 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | Includes bibliographical references and index 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 |
| Beschreibung: | 1 Online-Ressource (xiv, 473 p.) |
| ISBN: | 9780444818959 0444818952 9780080544748 0080544746 |
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| 500 | |a 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 | ||
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| spelling | Adaption of simulated annealing to chemical optimization problems edited by John H. Kalivas Amsterdam Elsevier 1995 1 Online-Ressource (xiv, 473 p.) txt rdacontent c rdamedia cr rdacarrier Data handling in science and technology v. 15 Includes bibliographical references and index 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 Chemistry / Numerical methods SCIENCE / Chemistry / General bisacsh Chemistry / Mathematics fast Simulated annealing (Mathematics) fast Chemie Mathematik Simulated annealing (Mathematics) Chemistry Mathematics Chemie (DE-588)4009816-3 gnd rswk-swf Optimierung (DE-588)4043664-0 gnd rswk-swf Simulated annealing (DE-588)4265091-4 gnd rswk-swf 1\p (DE-588)4143413-4 Aufsatzsammlung gnd-content Simulated annealing (DE-588)4265091-4 s Optimierung (DE-588)4043664-0 s Chemie (DE-588)4009816-3 s 2\p DE-604 Kalivas, John H. Sonstige oth http://www.sciencedirect.com/science/book/9780444818959 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Adaption of simulated annealing to chemical optimization problems Chemistry / Numerical methods SCIENCE / Chemistry / General bisacsh Chemistry / Mathematics fast Simulated annealing (Mathematics) fast Chemie Mathematik Simulated annealing (Mathematics) Chemistry Mathematics Chemie (DE-588)4009816-3 gnd Optimierung (DE-588)4043664-0 gnd Simulated annealing (DE-588)4265091-4 gnd |
| subject_GND | (DE-588)4009816-3 (DE-588)4043664-0 (DE-588)4265091-4 (DE-588)4143413-4 |
| title | Adaption of simulated annealing to chemical optimization problems |
| title_auth | Adaption of simulated annealing to chemical optimization problems |
| title_exact_search | Adaption of simulated annealing to chemical optimization problems |
| title_full | Adaption of simulated annealing to chemical optimization problems edited by John H. Kalivas |
| title_fullStr | Adaption of simulated annealing to chemical optimization problems edited by John H. Kalivas |
| title_full_unstemmed | Adaption of simulated annealing to chemical optimization problems edited by John H. Kalivas |
| title_short | Adaption of simulated annealing to chemical optimization problems |
| title_sort | adaption of simulated annealing to chemical optimization problems |
| topic | Chemistry / Numerical methods SCIENCE / Chemistry / General bisacsh Chemistry / Mathematics fast Simulated annealing (Mathematics) fast Chemie Mathematik Simulated annealing (Mathematics) Chemistry Mathematics Chemie (DE-588)4009816-3 gnd Optimierung (DE-588)4043664-0 gnd Simulated annealing (DE-588)4265091-4 gnd |
| topic_facet | Chemistry / Numerical methods SCIENCE / Chemistry / General Chemistry / Mathematics Simulated annealing (Mathematics) Chemie Mathematik Chemistry Mathematics Optimierung Simulated annealing Aufsatzsammlung |
| url | http://www.sciencedirect.com/science/book/9780444818959 |
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