[PDF.02pf] Neural Networks in Chemical Reaction Dynamics

Neural Networks in Chemical Reaction Dynamics

[PDF.bw31] Neural Networks in Chemical Reaction Dynamics

Neural Networks in Chemical  Lionel Raff, Ranga Komanduri, Martin Hagan, Satish Bukkapatnam epub
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 | #2954217 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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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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