@inproceedings{3d22eec43d0242998478996483677730,
title = "Neural network approach for the investigation of chemical phenomena",
abstract = "Neural networks are coupled with other computational methods (molecular dynamics, Monte Carlo, etc.) in order to obtain information on the structure and atomistic dynamics of chemical systems. Several aspects of this research are discussed: (1) the prediction of multidimensional potential-energy surfaces from vibrational spectra and constant volume heal capacities, (2) mechanisms and rates for energy flow and redistribution, and (3) prediction of physical properties of organic and polymeric systems. The overall results obtained demonstrate the computational power and accuracies that can be achieved coupling other computational methods with neural networks, as well as providing intriguing results on the internal dynamics of chemical systems.",
author = "Darsey, {Jerry A.} and Sumpter, {Bobby G.}",
year = "1993",
language = "English",
isbn = "1565550072",
series = "Proceedings of SPIE - The International Society for Optical Engineering",
publisher = "Publ by Society of Photo-Optical Instrumentation Engineers",
pages = "296--300",
editor = "Padgett, {Marry Lou}",
booktitle = "Proceedings of SPIE - The International Society for Optical Engineering",
note = "Proceedings of the 3rd Workshop on Neural Networks: Academic/Industrial/NASA/Defense ; Conference date: 10-02-1992 Through 12-02-1992",
}