Neural Networks in Chemical Reaction Dynamics

by Lionel M. Raff

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;...

• Format: Hardcover
• Language: English
• ISBN: 0199765650
• ISBN13: 9780199765652
• Release Date: January 2012
• Publisher: Oxford University Press
• Length: 312 Pages
• Weight: 1.30 lbs.
• Dimensions: 1.0" x 6.2" x 9.3"