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Matthias Rupp | Researchclopedia

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Matthias Rupp

University of Konstanz ORCID

107

Works

10,645

Citations

31

h-index

42

i10-index

Research Topics

Machine Learning in Materials Science Computational Drug Discovery Methods X-ray Diffraction in Crystallography

Affiliations

Goethe University Frankfurt2007–2010

Åbo Akademi University2010–2010

Franklin W. Olin College of Engineering2020–2020

University of California, Los Angeles2012–2012

University of Basel2013–2015

Top Works

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Matthias Rupp,Alexandre Tkatchenko,et al.

20122,340 citations

Protein Structure and Dynamics

Advanced Chemical Physics Studies

Quantum chemistry structures and properties of 134 kilo molecules

Raghunathan Ramakrishnan,Pavlo O. Dral,et al.

20141,955 citations

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

Raghunathan Ramakrishnan,Pavlo O. Dral,et al.

2015851 citations

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

Iurii Sushko,Sergii Novotarskyi,et al.

2011661 citations

Finding Density Functionals with Machine Learning

John Snyder,Matthias Rupp,et al.

2012655 citations

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

Katja Hansen,Grégoire Montavon,et al.

2013634 citations

Machine learning of molecular electronic properties in chemical compound space

Grégoire Montavon,Matthias Rupp,et al.

2013392 citations

Machine learning for quantum mechanics in a nutshell

2015377 citations

DOGS: Reaction-Driven de novo Design of Bioactive Compounds

Markus Hartenfeller,Heiko Zettl,et al.

2012263 citations