Standout Papers

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning 2012 2026 2016 2021 1.5k
  1. Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning (2012)
    Matthias Rupp, Alexandre Tkatchenko et al. Physical Review Letters
  2. Quantum chemistry structures and properties of 134 kilo molecules (2014)
    Raghunathan Ramakrishnan, Pavlo O. Dral et al. Scientific Data
  3. Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach (2015)
    Raghunathan Ramakrishnan, Pavlo O. Dral et al. Journal of Chemical Theory and Computation
  4. Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies (2013)
    Katja Hansen, Grégoire Montavon et al. Journal of Chemical Theory and Computation
  5. Finding Density Functionals with Machine Learning (2012)
    John Snyder, Matthias Rupp et al. Physical Review Letters

Immediate Impact

5 by Nobel laureates 14 from Science/Nature 266 standout
Sub-graph 1 of 11

Citing Papers

Machine Learning-Assisted High-Donor-Number Electrolyte Additive Screening toward Construction of Dendrite-Free Aqueous Zinc-Ion Batteries
2025 Standout
Computational chemistry for water-splitting electrocatalysis
2024 Standout

Works of Matthias Rupp being referenced

Quantum chemistry structures and properties of 134 kilo molecules
2014 Standout
Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies
2013 Standout

Author Peers

Author Last Decade Papers Cites
Matthias Rupp 3081 4882 1517 48 6.0k
Justin S. Smith 2048 3338 1435 59 4.6k
Albert P. Bartók 2035 6687 1143 50 8.0k
Pavlo O. Dral 1692 2950 966 79 4.0k
Kristof T. Schütt 1988 3775 1208 21 4.5k
Olexandr Isayev 3978 7254 2605 95 10.2k
Risi Kondor 1160 3474 786 28 4.8k
O. Anatole von Lilienfeld 4327 8041 2207 115 10.6k
Teodoro Laino 1107 1990 1155 89 3.9k
Mark P. Waller 1609 1949 1619 52 4.0k
Michele Ceriotti 2024 6294 1717 165 10.4k

All Works

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2026