Standout Papers

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons 2010 2026 2015 2020 2.0k
  1. Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons (2010)
    Albert P. Bartók, M. C. Payne et al. Physical Review Letters
  2. On representing chemical environments (2013)
    Albert P. Bartók, Risi Kondor et al. Physical Review B
  3. Gaussian Process Regression for Materials and Molecules (2021)
    Volker L. Deringer, Albert P. Bartók et al. Chemical Reviews
  4. Comparing molecules and solids across structural and alchemical space (2016)
    Sandip De, Albert P. Bartók et al. Physical Chemistry Chemical Physics
  5. Machine learning unifies the modeling of materials and molecules (2017)
    Albert P. Bartók, Sandip De et al. Science Advances
  6. Gaussian approximation potentials: A brief tutorial introduction (2015)
    Albert P. Bartók, Gábor Cśanyi International Journal of Quantum Chemistry
  7. Machine Learning a General-Purpose Interatomic Potential for Silicon (2018)
    Albert P. Bartók, James R. Kermode et al. Physical Review X
  8. Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions (2016)
    G. Andrés Cisneros, Kjartan Thor Wikfeldt et al. Chemical Reviews

Immediate Impact

3 by Nobel laureates 15 from Science/Nature 317 standout
Sub-graph 1 of 10

Citing Papers

MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
2025 Standout
Hydrogen Embrittlement as a Conspicuous Material Challenge─Comprehensive Review and Future Directions
2024 Standout
198 intermediate papers

Works of Albert P. Bartók being referenced

Gaussian Process Regression for Materials and Molecules
2021 Standout
Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
2010 Standout
and 18 more

Author Peers

Author Last Decade Papers Cites
Albert P. Bartók 6687 1586 290 2035 50 8.0k
Matthias Rupp 4882 1000 58 3081 48 6.0k
Michele Ceriotti 6294 3751 418 2024 165 10.4k
O. Anatole von Lilienfeld 8041 2830 155 4327 115 10.6k
Noam Bernstein 5630 1709 193 800 112 8.1k
Jörg Behler 12518 4106 640 3375 116 14.9k
Risi Kondor 3474 605 100 1160 28 4.8k
Justin S. Smith 3338 682 37 2048 59 4.6k
Kristof T. Schütt 3775 590 44 1988 21 4.5k
Aidan P. Thompson 6796 1440 444 471 82 11.0k
Gábor Cśanyi 14020 3096 454 3529 168 17.2k

All Works

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2026