SchNet – A deep learning architecture for molecules and materials
2018 · The Journal of Chemical Physics · 2,062 citations
https://doi.org/10.1063/1.5019779
H
Huziel E. Sauceda
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Huziel E. Sauceda is an academic researcher from Universidad Nacional Autónoma de México. The author has contributed to research in topics: Machine Learning in Materials Science & Protein Structure and Dynamics & Computational Drug Discovery Methods. The author has an h-index of 15, co-authored 50 publications.
ORCID: 0000-0001-6091-3408Papers by this author
workssGDML: Constructing accurate and data efficient molecular force fields using machine learning
2019 · Computer Physics Communications · 233 citations
https://doi.org/10.1016/j.cpc.2019.02.007
BIGDML—Towards accurate quantum machine learning force fields for materials
2022 · Nature Communications · 73 citations
https://doi.org/10.1038/s41467-022-31093-x
Atomic orbits in molecules and materials for improving machine learning force fields
2025 · Machine Learning Science and Technology · 1 citations
https://doi.org/10.1088/2632-2153/adea0b
On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
2021 · Communications Chemistry · 0 citations
https://doi.org/10.1038/s42004-021-00540-z
i-pi/i-pi: v3.1.8
2026 · Zenodo (CERN European Organization for Nuclear Research) · 0 citations
https://doi.org/10.5281/zenodo.18634995
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