[PDF.60yc] Neural Networks in Chemical Reaction Dynamics

Neural Networks in Chemical Reaction Dynamics

[PDF.fj45] Neural Networks in Chemical Reaction Dynamics

Neural Networks in Chemical  Lionel Raff, Ranga Komanduri, Martin Hagan, Satish Bukkapatnam epub
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 | #2906706 in Books |  2012-01-18 | Original language:English | PDF # 1 |  6.30 x1.00 x9.40l,1.25 | File type: PDF | 312 pages

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||About the Author||Lionel Raff is Regents Professor in the Department of Chemistry at Oklahoma State University.||Ranga Komanduri is Professor & A. H. Nelson, Jr. Endowed Chair in Engineering in the School of Mechanical and Aerospace Engineering at Oklahoma State

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 i...

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