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The Use of Self – The Essence of Professional Education - Oxford Scholarship Online
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The Use of Self: The Essence of Professional Education

Raymond Fox

Abstract

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 ... More

Bibliographic Information

Print publication date: 2011 Print ISBN-13: 9780190616144
Published to Oxford Scholarship Online: November 2020 DOI:10.1093/oso/9780190616144.001.0001

Authors

Affiliations are at time of print publication.

Raymond Fox, author