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The Journal of Chemical Physics|October 2, 2009
Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the databaseM Malshe, A Pukrittayakamee, L M Raff, et al.
The Journal of Chemical Physics|April 10, 2009
Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networksA Pukrittayakamee, M Malshe, M Hagan, et al.
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