Search Results - "Mckintyre, Ryker"

The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics by Yao, Kun, Herr, John E, Toth, David W, Mckintyre, Ryker, Parkhill, John

“…Traditional force fields cannot model chemical reactivity, and suffer from low generality without re-fitting. Neural network potentials promise to address…”
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The TensorMol-0.1 model chemistry: a neural network augmented with long-range physicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04934j by Yao, Kun, Herr, John E, Toth, David W, Mckintyre, Ryker, Parkhill, John

“…Traditional force fields cannot model chemical reactivity, and suffer from low generality without re-fitting. Neural network potentials promise to address…”
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The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04934j by Yao, Kun, Herr, John E., Toth, David W., Mckintyre, Ryker, Parkhill, John

“…We construct a robust chemistry consisting of a nearsighted neural network potential, TensorMol-0.1, with screened long-range electrostatic and van der Waals…”
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