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Potential Energy Surfaces Fitted by Artificial Neural Networks (2010)
Journal Article
Handley, C. M., & Popelier, P. L. A. (2010). Potential Energy Surfaces Fitted by Artificial Neural Networks. Journal of Physical Chemistry A, 114(10), 3371-3383. https://doi.org/10.1021/jp9105585

Molecular mechanics is the tool of choice for the modeling of systems that are so large or complex that it is impractical or impossible to model them by ab initio methods. For this reason there is a need for accurate potentials that are able to quick... Read More about Potential Energy Surfaces Fitted by Artificial Neural Networks.