Huziel E. Sauceda
Huziel E. Sauceda
Verified email at fhi-berlin.mpg.de - Homepage
Title
Cited by
Cited by
Year
Machine learning of accurate energy-conserving molecular force fields
S Chmiela, A Tkatchenko, HE Sauceda, I Poltavsky, KT Schütt, KR Müller
Science advances 3 (5), e1603015, 2017
3642017
SchNet–A deep learning architecture for molecules and materials
KT Schütt, HE Sauceda, PJ Kindermans, A Tkatchenko, KR Müller
The Journal of Chemical Physics 148 (24), 241722, 2018
3282018
Schnet: A continuous-filter convolutional neural network for modeling quantum interactions
K Schütt, PJ Kindermans, HES Felix, S Chmiela, A Tkatchenko, KR Müller
Advances in neural information processing systems, 991-1001, 2017
1892017
Towards exact molecular dynamics simulations with machine-learned force fields
S Chmiela, HE Sauceda, KR Müller, A Tkatchenko
Nature communications 9 (1), 1-10, 2018
1542018
Vibrational properties of metal nanoparticles: Atomistic simulation and comparison with time-resolved investigation
HE Sauceda, D Mongin, P Maioli, A Crut, M Pellarin, N Del Fatti, F Vallée, ...
The Journal of Physical Chemistry C 116 (47), 25147-25156, 2012
622012
sGDML: Constructing accurate and data efficient molecular force fields using machine learning
S Chmiela, HE Sauceda, I Poltavsky, KR Müller, A Tkatchenko
Computer Physics Communications 240, 38-45, 2019
382019
Size and shape dependence of the vibrational spectrum and low-temperature specific heat of Au nanoparticles
HE Sauceda, F Salazar, LA Pérez, IL Garzón
The Journal of Physical Chemistry C 117 (47), 25160-25168, 2013
332013
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces
HE Sauceda, S Chmiela, I Poltavsky, KR Müller, A Tkatchenko
The Journal of chemical physics 150 (11), 114102, 2019
262019
Structural determination of metal nanoparticles from their vibrational (phonon) density of states
HE Sauceda, IL Garzón
The Journal of Physical Chemistry C 119 (20), 10876-10880, 2015
252015
Advances in Neural Information Processing Systems 30
K Schütt, PJ Kindermans, HE Sauceda Felix, S Chmiela, A Tkatchenko, ...
Guyon, I., Luxburg, UV, Bengio, S., Wallach, H., Fergus, R., Vishwanathan, S …, 2017
232017
Mechanical vibrations of atomically defined metal clusters: From nano-to molecular-size oscillators
P Maioli, T Stoll, HE Sauceda, I Valencia, A Demessence, F Bertorelle, ...
Nano Letters 18 (11), 6842-6849, 2018
222018
Vibrational Spectrum, Caloric Curve, Low-Temperature Heat Capacity, and Debye Temperature of Sodium Clusters: The Na139+ Case
HE Sauceda, JJ Pelayo, F Salazar, LA Pérez, IL Garzón
The Journal of Physical Chemistry C 117 (21), 11393-11398, 2013
172013
Vibrational properties and specific heat of core–shell Ag–Au icosahedral nanoparticles
HE Sauceda, IL Garzón
Physical Chemistry Chemical Physics 17 (42), 28054-28059, 2015
82015
Construction of machine learned force fields with quantum chemical accuracy: Applications and chemical insights
HE Sauceda, S Chmiela, I Poltavsky, KR Müller, A Tkatchenko
arXiv preprint arXiv:1909.08565, 2019
72019
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions. NIPS 30
KT Schütt, PJ Kindermans, HE Sauceda, S Chmiela, A Tkatchenko, ...
Zeng, Tahaei, Chen, Meister, Shah, Gupta, Jalal, Arvaniti, Zimmerer …, 2017
62017
Accurate Molecular Dynamics Enabled by Efficient Physically Constrained Machine Learning Approaches
S Chmiela, HE Sauceda, A Tkatchenko, KR Müller
Machine Learning Meets Quantum Physics, 129-154, 2020
32020
Modeling molecular spectra with interpretable atomistic neural networks
M Gastegger, K Schütt, H Sauceda, KR Müller, A Tkatchenko
APS 2019, E32. 007, 2019
22019
Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperature
HE Sauceda, V Vassilev-Galindo, S Chmiela, KR Müller, A Tkatchenko
arXiv preprint arXiv:2006.10578, 2020
12020
Molecular force fields with gradient-domain machine learning (GDML): Comparison and synergies with classical force fields
HE Sauceda, M Gastegger, S Chmiela, KR Müller, A Tkatchenko
The Journal of Chemical Physics 153 (12), 124109, 2020
2020
Nuclear quantum delocalization enhances non-covalent intramolecular interactions: A machine learning and path integral molecular dynamics study
H Sauceda, V Vassilev Galindo, S Chmiela, KR Müller, A Tkatchenko
Bulletin of the American Physical Society 65, 2020
2020
The system can't perform the operation now. Try again later.
Articles 1–20