logo
CanyamAI summaries for academic research
language
MobileMobile
  • Phone FeatureWeChat Mini Program
EnglishEnglish
noticeNotice
BlogBlog
delete
arrow
Back
S

Stefan Chmiela

Technische Universitat Berlin

16H-index
52Paper Count
5.5KCitation Count
Published Papers 17
Publication Date
logo
Machine learning global atomic representations with Euclidean fast attention
errNature Machine Intelligence
IF23.9
err2026-03-25
err0
PREAI
errJ. Thorben Frank; Stefan Chmiela; Klaus-Robert Müller; Oliver T. Unke
errShare
errSave
Atomic orbits in molecules and materials for improving machine learning force fields
errmachine learning science and technology
IF0
err2025-07-16
err0
PREAI
errAnton Charkin-Gorbulin; Artem Kokorin; Huziel E Sauceda; Stefan Chmiela; Claudio Quarti; David Beljonne; Alexandre Tkatchenko; Igor Poltavsky
errShare
errSave
Stable molecular dynamics simulations of halide perovskites from a temperature-ensemble gradient-domain machine learning approach
errCHEMICAL PHYSICS LETTERS
IF3.1
err2025-05-01
err0
PREAI
errMendelsohn, Oz Y.; Hartstein, Michal; Chmiela, Stefan; Tkatchenko, Alexandre; Kronik, Leeor
errShare
errSave
A Euclidean transformer for fast and stable machine learned force fields
errNATURE COMMUNICATIONS
IF15.7
err2024-08-06
err3
errOAAI
errFrank, J. Thorben; Unke, Oliver T.; Mueller, Klaus-Robert; Chmiela, Stefan
errShare
errSave
Efficient interatomic descriptors for accurate machine learning force fields of extended molecules (vol 14, 3562, 2023)
errNATURE COMMUNICATIONS
IF15.7
err2023-07-11
err0
errOAAI
errKabylda, Adil; Vassilev-Galindo, Valentin; Chmiela, Stefan; Poltavsky, Igor; Tkatchenko, Alexandre
errShare
errSave
Efficient interatomic descriptors for accurate machine learning force fields of extended molecules
errNATURE COMMUNICATIONS
IF15.7
err2023-06-15
err14
errOAAI
errKabylda, Adil; Vassilev-Galindo, Valentin; Chmiela, Stefan; Poltavsky, Igor; Tkatchenko, Alexandre
errShare
errSave
Reconstructing Kernel-Based Machine Learning Force Fields with Superlinear Convergence
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-08
err1
errOAAI
errBluecher, Stefan; Mueller, Klaus-Robert; Chmiela, Stefan
errShare
errSave
Accurate global machine learning force fields for molecules with hundreds of atoms
errSCIENCE ADVANCES
IF12.5
err2023-01-13
err66
errOAAI
errChmiela, Stefan; Vassilev-Galindo, Valentin; Unke, Oliver T.; Kabylda, Adil; Sauceda, Huziel E.; Tkatchenko, Alexandre; Mueller, Klaus-Robert
errShare
errSave
BIGDML-Towards accurate quantum machine learning force fields for materials
errNATURE COMMUNICATIONS
IF15.7
err2022-06-29
err44
errOAAI
errSauceda, Huziel E.; Galvez-Gonzalez, Luis E.; Chmiela, Stefan; Oliver Paz-Borbon, Lauro; Mueller, Klaus-Robert; Tkatchenko, Alexandre
errShare
errSave
SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects
errNATURE COMMUNICATIONS
IF15.7
err2021-12-14
err166
errOAAI
errUnke, Oliver T.; Chmiela, Stefan; Gastegger, Michael; Schuett, Kristof T.; Sauceda, Huziel E.; Mueller, Klaus-Robert
errShare
errSave
Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperature
errNATURE COMMUNICATIONS
IF15.7
err2021-01-19
err37
errOAAI
errSauceda, Huziel E.; Vassilev-Galindo, Valentin; Chmiela, Stefan; Mueller, Klaus-Robert; Tkatchenko, Alexandre
errShare
errSave
Molecular force fields with gradient-domain machine learning (GDML): Comparison and synergies with classical force fields
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-09-24
err33
errOAAI
errSauceda, Huziel E.; Gastegger, Michael; Chmiela, Stefan; Mueller, Klaus-Robert; Tkatchenko, Alexandre
errShare
errSave
Ensemble learning of coarse-grained molecular dynamics force fields with a kernel approach
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-20
err42
errOAAI
errWang, Jiang; Chmiela, Stefan; Mueller, Klaus-Robert; Noe, Frank; Clementi, Cecilia
errShare
errSave
sGDML: Constructing accurate and data efficient molecular force fields using machine learning
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2019-07-01
err173
errOAAI
errChmiela, Stefan; Sauceda, Huziel E.; Poltavsky, Igor; Mueller, Klaus-Robert; Tkatchenko, Alexandre
errShare
errSave
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-03-18
err108
errOAAI
errSauceda, Huziel E.; Chmiela, Stefan; Poltavsky, Igor; Mueller, Klaus-Robert; Tkatchenko, Alexandre
errShare
errSave
Machine learning of accurate energy-conserving molecular force fields
errSCIENCE ADVANCES
IF12.5
err2017-05-05
err896
errOAAI
errChmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schuett, Kristof T.; Mueller, Klaus-Robert
errShare
errSave
Quantum-chemical insights from deep tensor neural networks
errNATURE COMMUNICATIONS
IF15.7
err2017-01-09
err1.1K
errOAAI
errSchuett, Kristof T.; Arbabzadah, Farhad; Chmiela, Stefan; Mueller, Klaus R.; Tkatchenko, Alexandre
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
D
David Beljonne
H-index: 109 · Papers: 837
L
Leeor Kronik
H-index: 83 · Papers: 503
A
Alexandre Tkatchenko
H-index: 82 · Papers: 512
F
Frank Noé
H-index: 70 · Papers: 405
C
Cecilia Clementi
H-index: 55 · Papers: 179
View more