Publications of Matthias Scheffler
All genres
Journal Article (7)
2019
Journal Article
Lenz, Maja-Olivia, Thomas Purcell, , , Matthias Scheffler and Christian Carbogno: Parametrically constrained geometry relaxations for high-throughput materials science.
Journal Article
Shang, Honghui, , , , , Christian Carbogno, Matthias Scheffler and : 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, , Igor Ying Zhang and 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., Luca M. Ghiringhelli, , , , , , Xiangyue Liu, Angelo Ziletti and Matthias Scheffler: Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition.
Journal Article
Zhou, Yuanyuan, Matthias Scheffler and Luca M. Ghiringhelli: Determining surface phase diagrams including anharmonic effects.
2017
Journal Article
Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, , , and Matthias Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats.
Journal Article
, Sebastián Alarcón Villaseca, Honghui Shang, Sergey V. Levchenko, , , , Matthias Scheffler, , , and : 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: 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: When the New Science Is in the Outliers.
(Materials Research Meeting 2019, Yokohama, Japan, Dec 2019).
Talk
Scheffler, Matthias: 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: 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: 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: Finding Statistically Exceptional Materials by Artificial Intelligence.
(The 5th International Conference on Molecular Simulation (ICMS), Jeju, Korea, Nov 2019).
Talk
Scheffler, Matthias: 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: 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.