Concepedia

Author

Matthias Rupp

Fritz Haber Institute of the Max Planck SocietyORCID

Also Known As

M Rupp, Matthias Rupp, Matthias, Rupp, Rupp, M., Rupp, Matthias, Tenti, Giacomo

109

Publications

10.5K

Citations

31

H-Index

102

Concepts

All Affiliations

Fritz Haber Institute of the Max Planck SocietyTechnische Universität BerlinETH ZurichUniversity of BaselKorea University
MR

About

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

Top Concepts

#ConceptH-IndexPublicationsCitations

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Engineering

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2

Natural Sciences

12

13

4K

3

Medicine

6

6

839

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Business

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120

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Management

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Matthias Rupp

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40

Publications

10.2K

Citations

29

H-Index

YearCitations

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Matthias Rupp, Alexandre Tkatchenko, Klaus‐Robert Müller,

Physical Review Letters

2012

2.3K

Quantum chemistry structures and properties of 134 kilo molecules

Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp,

Scientific Data

2014

1.9K

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

Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp,

Journal of Chemical Theory and Computation

2015

831

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

Iurii Sushko, Sergii Novotarskyi, Robert Körner,

Journal of Computer-Aided Molecular Design

2011

654

Finding Density Functionals with Machine Learning

John Snyder, Matthias Rupp, Katja Hansen,

Physical Review Letters

2012

651

Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies

Katja Hansen, Grégoire Montavon, Franziska Biegler,

Journal of Chemical Theory and Computation

2013

631

Machine learning of molecular electronic properties in chemical compound space

Grégoire Montavon, Matthias Rupp, Vivekanand V. Gobre,

Repository for Publications and Research Data (ETH Zurich)

2013

391

Machine learning for quantum mechanics in a nutshell

Matthias Rupp

International Journal of Quantum Chemistry

2015

374

DOGS: Reaction-Driven de novo Design of Bioactive Compounds

Markus Hartenfeller, Heiko Zettl, Miriam Walter,

PLoS Computational Biology

2012

261

Fourier series of atomic radial distribution functions: A molecular fingerprint for machine learning models of quantum chemical properties

O. Anatole von Lilienfeld, Raghunathan Ramakrishnan, Matthias Rupp,

International Journal of Quantum Chemistry

2015

224

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