662 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- ETH ZurichCH4 papers
- Korea UniversityKR3 papers
- Technische Universität BerlinDE3 papers
- Fritz Haber Institute of the Max Planck SocietyDE2 papers
- University of California, IrvineUS2 papers
- Argonne Leadership Computing Facility1 paper
- Argonne National LaboratoryUS1 paper
- Laboratory for Solid State PhysicsCH1 paper
- Pohang University of Science and TechnologyKR1 paper
- University of BaselCH1 paper
- University of BristolGB1 paper
- University of ZurichCH1 paper
4 papers
Force-detected Magnetic Resonance Imaging of Influenza Viruses in the Overcoupled Sensor Regime
Marc-Dominik Krass, Nils Prumbaum, Raphael Pachlatko +5
Long and thin scanning force cantilevers are sensitive to small forces, but also vulnerable to detrimental non-contact interactions. Here we present an experiment with a cantilever…
Orbital-free Bond Breaking via Machine Learning
John C. Snyder, Matthias Rupp, Katja Hansen +3
Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density. The functional can accurately dissociate a diatomic…
Machine Learning of Molecular Electronic Properties in Chemical Compound Space
Grégoire Montavon, Matthias Rupp, Vivekanand Gobre +5
The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identifica…
Finding Density Functionals with Machine Learning
John C. Snyder, Matthias Rupp, Katja Hansen +2
Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of non-interacting fermions in 1d, mean absolute errors below 1 kcal/mol on…