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Matthias Rupp

Researcher Next ID · RN-017096

Researcher · Materials Science

Luxembourg Institute of Science and Technology

, Luxembourg

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Not currently recruitingFunding unknown
Works count
106
Citation count
11,068
H-index
30
i10-index
41

Research interests

Materials Science
Computer Science
Biochemistry, Genetics and Molecular Biology
Physics and Astronomy
Machine Learning in Materials Science
Computational Drug Discovery Methods
X-ray Diffraction in Crystallography
Protein Structure and Dynamics
Advanced Chemical Physics Studies

Publications

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

    Journal of Chemical Theory and Computation · 2015 · 10.1021/acs.jctc.5b00099

  • Quantum chemistry structures and properties of 134 kilo molecules

    Scientific Data · 2014 · 10.1038/sdata.2014.22

  • Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

    Physical Review Letters · 2012 · 10.1103/physrevlett.108.058301

  • Finding Density Functionals with Machine Learning

    Physical Review Letters · 2012 · 10.1103/physrevlett.108.253002

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

    Journal of Computer-Aided Molecular Design · 2011 · 10.1007/s10822-011-9440-2

Current projects

    No projects listed.