Matthias Rupp

Publication Activity (10 Years)

Years Active: 2014-2020
Publications (10 Years): 3

Top Topics

Machine Learning

Molecular Dynamics

Top Venues

The Journal of chemical physics

Scientific data

Nature communications

University of Konstanz

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Konstanz Aug 01 2020

Germany

Faculty :: Computer and Information Science

Citrine Informatics Feb 01 2019 - May 31 2020

United States

Applied Scientist :: Scientific Software Development

Fritz-Haber-Institut der Max-Planck-Gesellschaft May 01 2015 - Dec 31 2018

Germany

Group leader :: Theory

Publications

Zachary Del Rosario, Matthias Rupp, Yoolhee Kim, Erin Antono, Julia Ling
Assessing the frontier: Active learning, model accuracy, and multi-objective candidate discovery and optimization. The Journal of chemical physics 153 (2) (2020)
Christopher Sutton, Mario Boley, Luca M Ghiringhelli, Matthias Rupp, Jilles Vreeken, Matthias Scheffler
Identifying domains of applicability of machine learning models for materials science. Nature communications 11 (1) (2020)
Matthias Rupp, O Anatole von Lilienfeld, Kieron Burke
Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry. The Journal of chemical physics 148 (24) (2018)
Raghunathan Ramakrishnan, Pavlo O Dral, Matthias Rupp, O Anatole von Lilienfeld
Quantum chemistry structures and properties of 134 kilo molecules. Scientific data 1 (2014)