Publikationen von Huziel E. Sauceda
Alle Typen
Zeitschriftenartikel (7)
1.
Zeitschriftenartikel
4, 103 (2021)
On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes. Communications Chemistry 2.
Zeitschriftenartikel
240, S. 38 - 45 (2019)
sGDML: Constructing accurate and data efficient molecular force fields using machine learning. Computer Physics Communications 3.
Zeitschriftenartikel
150 (11), 114102 (2019)
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 4.
Zeitschriftenartikel
18 (11), S. 6842 - 6849 (2018)
Mechanical Vibrations of Atomically Defined Metal Clusters: From Nano- to Molecular-Size Oscillators. Nano Letters 5.
Zeitschriftenartikel
9 (1), 3887 (2018)
Towards exact molecular dynamics simulations with machine-learned force fields. Nature Communications 6.
Zeitschriftenartikel
148 (24), 241722 (2018)
SchNet – A deep learning architecture for molecules and materials. The Journal of Chemical Physics 7.
Zeitschriftenartikel
3 (5), e1603015 (2017)
Machine learning of accurate energy-conserving molecular force fields. Science Advances Buchkapitel (1)
8.
Buchkapitel
Construction of Machine Learned Force Fields with Quantum Chemical Accuracy: Applications and Chemical Insights. In: Machine Learning Meets Quantum Physics, S. 277 - 307 (Hg. Schütt, K. T.; Chmiela, S.; von Lilienfeld, O. A.; Tkatchenko, A.; Tsuda, K. et al.). Springer, Cham (2020)
Konferenzbeitrag (1)
9.
Konferenzbeitrag
30, S. 992 - 1002 (Hg. von Luxburg, U.). 31st Conference on Neural Information Processing Systems (NIPS 2017), Long Beach, CA, USA, 04. Dezember 2017 - 09. Dezember 2017. Neural Information Processing Systems (NIPS) Foundation, La Jolla, CA (2018)
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions. In: Advances in Neural Information Processing Systems, Bd.