Standout Papers

SpookyNet: Learning force fields with electronic degrees of freedom and non... 2019 2026 2021 2023 495
  1. SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects (2021)
    Oliver T. Unke, Stefan Chmiela et al. Nature Communications
  2. Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments (2024)
    Oliver T. Unke, Martin Stöhr et al. Science Advances
  3. Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems (2021)
    John A. Keith, Valentín Vassilev-Galindo et al. Chemical Reviews
  4. Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions (2019)
    Kristof T. Schütt, Michael Gastegger et al. Nature Communications

Immediate Impact

1 by Nobel laureates 12 from Science/Nature 97 standout
Sub-graph 1 of 18

Citing Papers

Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential
2024 Standout
Recent Advances in 3D Printing of Smart Scaffolds for Bone Tissue Engineering and Regeneration
2024 Standout
18 intermediate papers

Works of Michael Gastegger being referenced

Deep learning study of tyrosine reveals that roaming can lead to photodamage
2022
SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects
2021 Standout
and 5 more

Author Peers

Author Last Decade Papers Cites
Michael Gastegger 1604 566 836 24 2.0k
Katja Hansen 1674 552 1175 15 2.2k
Nicholas Lubbers 1763 616 953 59 2.7k
Huziel E. Sauceda 2433 793 1165 24 2.8k
Stefan Chmiela 2330 873 1266 21 2.9k
Jorge Aguilera‐Iparraguirre 1061 564 847 15 1.9k
Oliver T. Unke 1166 483 677 30 1.5k
Patrick Riley 1258 674 1060 25 2.2k
Raghunathan Ramakrishnan 2398 756 1573 33 2.9k
Sandip De 1656 268 562 32 2.0k
Simon Batzner 1526 340 475 15 1.9k

All Works

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2026