Concepedia

Matthias Rupp

MR

40

Publications

10.2K

Citations

29

H-Index

2007

Active since

Affiliations

Fritz Haber Institute of the Max Planck Society(Current)

Technische Universität Berlin

University of Basel

Korea University

Matthias Rupp is an author at Fritz Haber Institute of the Max Planck Society specializing in engineering, data science, and computational chemistry.

Top concepts

EngineeringMachine LearningComputational ChemistryData ScienceBiophysicsNatural SciencesChemistryQuantum ChemistryPhysicsMolecular Design

Publications per year

2007–2025

40

Publications

40

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Matthias Rupp, Alexandre Tkatchenko, Klaus‐Robert Müller et al. · Physical Review Letters · 2012 · 2.3K citations · Full text

Engineering, Machine Learning, Computational Chemistry +17

Quantum chemistry structures and properties of 134 kilo molecules

Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp et al. · Scientific Data · 2014 · 1.9K citations · Full text

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp et al. · Journal of Chemical Theory and Computation · 2015 · 831 citations

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Computer-Aided Molecular Design · 2011 · 654 citations · Full text

Engineering, Chemical Analysis, Qsar Modeling +26

Finding Density Functionals with Machine Learning

John Snyder, Matthias Rupp, Katja Hansen et al. · Physical Review Letters · 2012 · 651 citations · Full text

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