Huziel E. Sauceda - Publications, H-index & Citations

Huziel E. Sauceda

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

15H指数

58论文数

5.3K被引数

收录论文 19

发表时间

Atomic orbits in molecules and materials for improving machine learning force fields 分子和材料中的原子轨道用于改进机器学习力场

machine learning science and technology

IF0

2025-07-16

PREAI

Anton Charkin-Gorbulin; Artem Kokorin; Huziel E Sauceda; Stefan Chmiela; Claudio Quarti; David Beljonne; Alexandre Tkatchenko; Igor Poltavsky

Intercavity polariton slows down dynamics in strongly coupled cavities

NATURE COMMUNICATIONS

IF15.7

2024-04-04

OAAI

Jomaso, 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

Accurate global machine learning force fields for molecules with hundreds of atoms

SCIENCE ADVANCES

IF12.5

2023-01-13

OAAI

Chmiela, Stefan; Vassilev-Galindo, Valentin; Unke, Oliver T.; Kabylda, Adil; Sauceda, Huziel E.; Tkatchenko, Alexandre; Mueller, Klaus-Robert

BIGDML-Towards accurate quantum machine learning force fields for materials

NATURE COMMUNICATIONS

IF15.7

2022-06-29

OAAI

Sauceda, Huziel E.; Galvez-Gonzalez, Luis E.; Chmiela, Stefan; Oliver Paz-Borbon, Lauro; Mueller, Klaus-Robert; Tkatchenko, Alexandre

High-fidelity molecular dynamics trajectory reconstruction with bi-directional neural networks

MACHINE LEARNING-SCIENCE AND TECHNOLOGY

IF4.6

2022-05-30

OAAI

Winkler, Ludwig; Mueller, Klaus-Robert; Sauceda, Huziel E.

SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects SpookyNet: 学习具有电子自由度和非局部效应的力场

NATURE COMMUNICATIONS

IF15.7

2021-12-14

166

OAAI

Unke, Oliver T.; Chmiela, Stefan; Gastegger, Michael; Schuett, Kristof T.; Sauceda, Huziel E.; Mueller, Klaus-Robert

On the forbidden graphene's ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes

COMMUNICATIONS CHEMISTRY

IF6.2

2021-07-05

OAAI

Pedroza-Montero, Jesus N.; Garzon, Ignacio L.; Sauceda, Huziel E.

Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperature

NATURE COMMUNICATIONS

IF15.7

2021-01-19

OAAI

Sauceda, Huziel E.; Vassilev-Galindo, Valentin; Chmiela, Stefan; Mueller, Klaus-Robert; Tkatchenko, Alexandre

Molecular force fields with gradient-domain machine learning (GDML): Comparison and synergies with classical force fields

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-09-24

OAAI

Sauceda, Huziel E.; Gastegger, Michael; Chmiela, Stefan; Mueller, Klaus-Robert; Tkatchenko, Alexandre

sGDML: Constructing accurate and data efficient molecular force fields using machine learning sGDML: 使用机器学习构建准确且数据高效的分子力场

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2019-07-01

173

OAAI

Chmiela, Stefan; Sauceda, Huziel E.; Poltavsky, Igor; Mueller, Klaus-Robert; Tkatchenko, Alexandre

Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-03-18

108

OAAI

Sauceda, Huziel E.; Chmiela, Stefan; Poltavsky, Igor; Mueller, Klaus-Robert; Tkatchenko, Alexandre

Mechanical Vibrations of Atomically Defined Metal Clusters: From Nano- to Molecular-Size Oscillators 原子定义的金属簇的机械振动: 从纳米到分子大小的振荡器

NANO LETTERS

IF9.1

2018-09-24

PREAI

Maioli, Paolo; Stoll, Tatjana; Sauceda, Huziel E.; Valencia, Israel; Demessence, Aude; Bertorelle, Franck; Crut, Aurelien; Vallee, Fabrice; Garzon, Ignacio L.; Cerullo, Giulio; Del Fatti, Natalia

Towards exact molecular dynamics simulations with machine-learned force fields

NATURE COMMUNICATIONS

IF15.7

2018-09-24

580

OAAI

Chmiela, Stefan; Sauceda, Huziel E.; Mueller, Klaus-Robert; Tkatchenko, Alexandre

SchNet - A deep learning architecture for molecules and materials SchNet-分子和材料的深度学习架构

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-03-29

1.5K