Publications of Matthias Scheffler
All genres
Working Paper (17)
2023
Working Paper
, Luca M. Ghiringhelli, Christian Carbogno, and Matthias Scheffler: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials.
Working Paper
Speckhard, Daniel, Christian Carbogno, Luca M. Ghiringhelli, , Matthias Scheffler and : Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models.
2021
Working Paper
and Matthias Scheffler: Learning Rules for Materials Properties and Functions.
2019
Working Paper
Kloppenburg, Jan, Lydia Nemec, , Matthias Scheffler and : The (3×3)-SiC-(¯1¯1¯1) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search.
Working Paper
Mazheika, Aliaksei, Yanggang Wang, , Luca M. Ghiringhelli, , , Sergey V. Levchenko and Matthias Scheffler: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces.
2018
Working Paper
, Runhai Ouyang, , Matthias Scheffler, Luca M. Ghiringhelli and Christian Carbogno: Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing.
2016
Working Paper
Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, , , and Matthias Scheffler: Towards a Common Format for Computational Materials Science Data.
Working Paper
, , , Matthias Scheffler and : Three European Centers of Excellence in Computational Science.
Issue (1)
2007
Issue
Scheffler, Matthias and : Focus on Advances in Surface and Interface Science.
Editorial (1)
2023
Editorial
Ghiringhelli, Luca M., Carsten Baldauf, , , Christian Carbogno, , , , Claudia Draxl, , , , , , , , Maja-Olivia Lenz Himmer, , , , , , , , Benjamin Regler, , , , , , , , , and Matthias Scheffler: Shared Metadata for Data-Centric Materials Science.