Publications of Matthias Scheffler
All genres
Working Paper (17)
2023
Working Paper
L. Foppa and M. Scheffler: Towards a Multi-Objective Optimization of Subgroups for the Discovery of Materials with Exceptional Performance., in press.
Working Paper
, L.M. Ghiringhelli, C. Carbogno, and M. Scheffler: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials., in press.
Working Paper
D. Speckhard, C. Carbogno, L.M. Ghiringhelli, , M. Scheffler and : Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models., in press.
2021
Working Paper
and M. Scheffler: Learning Rules for Materials Properties and Functions., in press.
2019
Working Paper
A. Mazheika, Y. Wang, , L.M. Ghiringhelli, , , S.V. Levchenko and M. Scheffler: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces., in press.
Working Paper
J. Kloppenburg, L. Nemec, , M. 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., in press.
2018
Working Paper
, R. Ouyang, , M. Scheffler, L.M. Ghiringhelli and C. Carbogno: Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing., in press.
2016
Working Paper
, , , M. Scheffler and : Three European Centers of Excellence in Computational Science. (133), 1–13 (2016).
Working Paper
L.M. Ghiringhelli, C. Carbogno, S.V. Levchenko, F.R. Mohamed, , , and M. Scheffler: Towards a Common Format for Computational Materials Science Data. (131), 1–16 (2016).
Issue (1)
2007
Issue
M. Scheffler and : Focus on Advances in Surface and Interface Science. New Journal of Physics 9 (2007).
Editorial (1)
2023
Editorial
L.M. Ghiringhelli, C. Baldauf, , , C. Carbogno, , , , C. Draxl, , , , , , , , M.-O.L. Himmer, , , , , , , , B. Regler, , , , , , , , , and M. Scheffler: Shared Metadata for Data-Centric Materials Science. Scientific Data 10, 626 (2023).