Force Training Neural Network Potential Energy Surface Models
Force Training Neural Network Potential Energy Surface Models
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Ithaca: Cornell University Library, arXiv.org
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English
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Ithaca: Cornell University Library, arXiv.org
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Machine learned chemical potentials have shown great promise as alternatives to conventional computational chemistry methods to represent the potential energy of a given atomic or molecular system as a function of its geometry. However, such potentials are only as good as the data they are trained on, and building a comprehensive training set can b...
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Force Training Neural Network Potential Energy Surface Models
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TN_cdi_proquest_journals_2890143666
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2890143666
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E-ISSN
2331-8422
