Publications of Matthias Scheffler

Journal Article (7)

2019
Journal Article
Lenz, Maja-Olivia, … Christian Carbogno: Parametrically constrained geometry relaxations for high-throughput materials science.
Journal Article
Shang, Honghui, … Hrvoje Petek: Electron-phonon coupling in d-electron solids: A temperature-dependent study of rutile TiO2 by first-principles theory and two-photon photoemission.
Journal Article
Shen, Tonghao, … Matthias Scheffler: Massive-parallel Implementation of the Resolution-of-Identity Coupled-cluster Approaches in the Numeric Atom-centered Orbital Framework for Molecular Systems.
Journal Article
Sutton, Christopher A., … Matthias Scheffler: Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition.
Journal Article
Zhou, Yuanyuan, … Luca M. Ghiringhelli: Determining surface phase diagrams including anharmonic effects.
2017
Journal Article
Ghiringhelli, Luca M., … Matthias Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats.
Journal Article
Simon, Ulla, … Klaus-Peter Dinse: Li/MgO Catalysts Doped with Alio-valent Ions. Part II: Local Topology Unraveled by EPR/NMR and DFT Modeling.

Talk (7)

2019
Talk
Scheffler, Matthias et al.: Thermal and Electrical Conductivity to All Orders in Electron-Phonon and Phonon-Phonon Coupling. (24th ETSF Workshop on Electronic Excitations, Light-Matter Interaction and Optical Spectroscopy from Infrared to X-Rays, Jena, Germany, Sep 2019).
Talk
Scheffler, Matthias et al.: When the New Science Is in the Outliers. (Materials Research Meeting 2019, Yokohama, Japan, Dec 2019).
Talk
Scheffler, Matthias et al.: Subgroup Discovery and Multi-Task SISSO for Novel Materials Discovery. (Inaugural Symposium for Computational Materials Program of Excellence, Moscow, Russia, Sep 2019).
Talk
Scheffler, Matthias et al.: Welcome and Introduction Materials Science Quo Vadis. (BIG DATA SUMMER – A summer school of the BiGmax Network, Platja d’Aro, Spain, Sep 2019).
Talk
Scheffler, Matthias et al.: Big Data and Artificial Intelligence in Materials Science: Building Maps of Materials Properties. (Workshop, Korea Institute for Science and Technology (KIST), Seoul, Korea, Nov 2019).
Talk
Scheffler, Matthias et al.: Finding Statistically Exceptional Materials by Artificial Intelligence. (The 5th International Conference on Molecular Simulation (ICMS), Jeju, Korea, Nov 2019).
Talk
Scheffler, Matthias et al.: Fourth Paradigm of Materials Science: Novel Research Routes by Artificial Intelligence. (Colloquium, Paul Scherrer Institute (PSI), Villigen, Switzerland, Dec 2019).

Thesis - PhD (1)

2017
Thesis - PhD
Ihrig, Arvid et al.: Lower-scaling advanced correlation methods with local Resolution of Identity strategies: A large-scale parallel and in-memory Laplace-Transformed MP2 for both molecular and periodic systems.
Go to Editor View