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Huziel E. Sauceda

instituto de física universidad nacional autónoma de méxico cd de méxico c.p. 04510, mexico

15H-index
58Paper Count
5.3KCitation Count
Published Papers 19
Publication Date
Atomic orbits in molecules and materials for improving machine learning force fields
err2025-07-16
err0
PREAI
errAnton Charkin-Gorbulin; Artem Kokorin; Huziel E Sauceda; Stefan Chmiela; Claudio Quarti; David Beljonne; Alexandre Tkatchenko; Igor Poltavsky
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Intercavity polariton slows down dynamics in strongly coupled cavities
err2024-04-04
err1
errOAAI
errJomaso, Yesenia A. Garcia; Vargas, Brenda; Dominguez, David Ley; Armenta-Rico, Roman J.; Sauceda, Huziel E.; Ordonez-Romero, Cesar L.; Lara-Garcia, Hugo A.; Camacho-Guardian, Arturo; Pirruccio, Giuseppe
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Accurate global machine learning force fields for molecules with hundreds of atoms
err2023-01-13
err66
errOAAI
errChmiela, Stefan; Vassilev-Galindo, Valentin; Unke, Oliver T.; Kabylda, Adil; Sauceda, Huziel E.; Tkatchenko, Alexandre; Mueller, Klaus-Robert
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BIGDML-Towards accurate quantum machine learning force fields for materials
err2022-06-29
err44
errOAAI
errSauceda, Huziel E.; Galvez-Gonzalez, Luis E.; Chmiela, Stefan; Oliver Paz-Borbon, Lauro; Mueller, Klaus-Robert; Tkatchenko, Alexandre
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SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects
err2021-12-14
err166
errOAAI
errUnke, Oliver T.; Chmiela, Stefan; Gastegger, Michael; Schuett, Kristof T.; Sauceda, Huziel E.; Mueller, Klaus-Robert
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Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperature
err2021-01-19
err37
errOAAI
errSauceda, Huziel E.; Vassilev-Galindo, Valentin; Chmiela, Stefan; Mueller, Klaus-Robert; Tkatchenko, Alexandre
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Molecular force fields with gradient-domain machine learning (GDML): Comparison and synergies with classical force fields
err2020-09-24
err33
errOAAI
errSauceda, Huziel E.; Gastegger, Michael; Chmiela, Stefan; Mueller, Klaus-Robert; Tkatchenko, Alexandre
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sGDML: Constructing accurate and data efficient molecular force fields using machine learning
err2019-07-01
err173
errOAAI
errChmiela, Stefan; Sauceda, Huziel E.; Poltavsky, Igor; Mueller, Klaus-Robert; Tkatchenko, Alexandre
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Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces
err2019-03-18
err108
errOAAI
errSauceda, Huziel E.; Chmiela, Stefan; Poltavsky, Igor; Mueller, Klaus-Robert; Tkatchenko, Alexandre
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Mechanical Vibrations of Atomically Defined Metal Clusters: From Nano- to Molecular-Size Oscillators
err2018-09-24
err66
PREAI
errMaioli, Paolo; Stoll, Tatjana; Sauceda, Huziel E.; Valencia, Israel; Demessence, Aude; Bertorelle, Franck; Crut, Aurelien; Vallee, Fabrice; Garzon, Ignacio L.; Cerullo, Giulio; Del Fatti, Natalia
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Towards exact molecular dynamics simulations with machine-learned force fields
err2018-09-24
err580
errOAAI
errChmiela, Stefan; Sauceda, Huziel E.; Mueller, Klaus-Robert; Tkatchenko, Alexandre
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SchNet - A deep learning architecture for molecules and materials
err2018-03-29
err1.5K
errOAAI
errSchuett, K. T.; Sauceda, H. E.; Kindermans, P. -J.; Tkatchenko, A.; Mueller, K. -R.
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Machine learning of accurate energy-conserving molecular force fields
err2017-05-05
err896
errOAAI
errChmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schuett, Kristof T.; Mueller, Klaus-Robert
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Size and Shape Dependence of the Vibrational Spectrum and Low-Temperature Specific Heat of Au Nanoparticles
err2013-11-15
err38
PREAI
errSauceda, Huziel E.; Salazar, Fernando; Perez, Luis A.; Garzon, Ignacio L.
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Vibrational Spectrum, Caloric Curve, Low-Temperature Heat Capacity, and Debye Temperature of Sodium Clusters: The Na139+ Case
err2013-05-16
err15
PREAI
errSauceda, Huziel E.; Jesus Pelayo, J.; Salazar, Fernando; Perez, Luis A.; Garzon, Ignacio L.
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Vibrational Properties of Metal Nanoparticles: Atomistic Simulation and Comparison with Time-Resolved Investigation
err2012-11-02
err65
PREAI
errSauceda, Huziel E.; Mongin, Denis; Maioli, Paolo; Crut, Aurelien; Pellarin, Michel; Del Fatti, Natalia; Vallee, Fabrice; Garzon, Ignacio L.
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