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Neural networks in chemical reaction dynamics /
This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii...
| Clasificación: | Libro Electrónico |
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| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
New York :
Oxford University Press,
©2012.
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| Temas: | |
| Acceso en línea: | Texto completo |
| Sumario: | This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrization of interatomic potential functions using a genetic algorithm accelerated with a NN; (iv) parametrization of analytic interatomic. |
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| Descripción Física: | 1 online resource (xiv, 283 pages) : illustrations |
| Bibliografía: | Includes bibliographical references and index. |
| ISBN: | 9780199909889 0199909881 9780197563113 0197563112 |