Publications of Huziel E. Sauceda
All genres
Journal Article (7)
1.
Journal Article
H.E. Sauceda: On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes. Communications Chemistry 4, 103 (2021).
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Journal Article
H.E. Sauceda, , and : sGDML: Constructing accurate and data efficient molecular force fields using machine learning. Computer Physics Communications 240, 38–45 (2019).
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Journal Article
Sauceda, H.E., , , and : Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces. The Journal of Chemical Physics 150 (11), 114102 (2019).
4.
Journal Article
H.E. Sauceda, , , , , , , and : Mechanical Vibrations of Atomically Defined Metal Clusters: From Nano- to Molecular-Size Oscillators. Nano Letters 18 (11), 6842–6849 (2018).
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Journal Article
H.E. Sauceda, and : Towards exact molecular dynamics simulations with machine-learned force fields. Nature Communications 9 (1), 3887 (2018).
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Journal Article
H.E. Sauceda, , and : SchNet – A deep learning architecture for molecules and materials. The Journal of Chemical Physics 148 (24), 241722 (2018).
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Journal Article
A. Tkatchenko, H.E. Sauceda, , and : Machine learning of accurate energy-conserving molecular force fields. Science Advances 3 (5), e1603015 (2017).
, Conference Paper (1)
8.
Conference Paper
H.E. Sauceda, , and : SchNet: A continuous-filter convolutional neural network for modeling quantum interactions. In: Advances in Neural Information Processing Systems. (Ed.): . Neural Information Processing Systems (NIPS) Foundation, La Jolla, CA, 992–1002 (2018).
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