Neural Networks in Chemical Reaction Dynamics (English, Lionel Raff | Ranga Komanduri | Martin Hagan)
by Lionel Raff | Ranga Komanduri | Martin Hagan
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Book Details
Publisher
Oxford University Press
Language
English
ISBN-13
9780199765652
ISBN-10
0199765650
Author
Lionel Raff | Ranga Komanduri | Martin Hagan
About the Book
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; (…
ISBN: 9780199765652
ISBN-13: 9780199765652
ISBN-10: 0199765650
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Product ID: isbn-9780199765652
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