Publikationen von Matthias Scheffler
Alle Typen
Hochschulschrift - Master (5)
2021
Hochschulschrift - Master
Lim, B.: Discussion, implementation and demonstration of AI-guided active workflows. Technische Universität Darmstadt
Hochschulschrift - Master
Oehlers, M.: Identifying exceptional data points in materials science using machine learning. Technische Universität Berlin
2016
Hochschulschrift - Master
Ahmetcik, E.: Machine Learning of the Stability of Octet Binaries. Technische Universität Berlin
Hochschulschrift - Master
Kowalski, H.-H.: First-principles Study of Thermoelectric Magnesium Silicides with High-Throughput Techniques. Technische Universität Berlin
Hochschulschrift - Bachelor (1)
2018
Hochschulschrift - Bachelor
: Thermal Conductivities of Group IV and Group III-V Compound Semiconductors from First Principles. Technische Universität Berlin
Forschungspapier (13)
2024
Forschungspapier
Foppa, L. und M. Scheffler: Coherent Collections of Rules Describing Exceptional Materials Identified with a Multi-Objective Optimization of Subgroups., im Druck.
Forschungspapier
Kokott, S., , , C. Carbogno, , , , M. Scheffler und : Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms., im Druck.
2023
Forschungspapier
L. Foppa und M. Scheffler: From Prediction to Action: The Critical Role of Proper Performance Estimation for Machine-Learning-Driven Materials Discovery., im Druck.
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Forschungspapier
Foppa, L. und M. Scheffler: Towards a Multi-Objective Optimization of Subgroups for the Discovery of Materials with Exceptional Performance., im Druck.
Forschungspapier
L.M. Ghiringhelli, C. Carbogno, und M. Scheffler: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials., im Druck.
,
Forschungspapier
Speckhard, D., C. Carbogno, L.M. Ghiringhelli, , M. Scheffler und : Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models., im Druck.
2022
Forschungspapier
M. Scheffler, , , , , , , und : Roadmap on Electronic Structure Codes in the Exascale Era., im Druck.
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Forschungspapier
M. Scheffler: Learning Rules for Materials Properties and Functions., im Druck.
und 2019
Forschungspapier
Kloppenburg, J., L. Nemec, , M. Scheffler und : The (3×3)-SiC-(¯1¯1¯1) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search., im Druck.
Forschungspapier
Mazheika, A., Y. Wang, , L.M. Ghiringhelli, , , S.V. Levchenko und M. Scheffler: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces., im Druck.
2018
Forschungspapier
R. Ouyang, , M. Scheffler, L.M. Ghiringhelli und C. Carbogno: Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing., im Druck.
, 2016
Forschungspapier
Ghiringhelli, L.M., C. Carbogno, S.V. Levchenko, F.R. Mohamed, , , und M. Scheffler: Towards a Common Format for Computational Materials Science Data. (131), 1–16 (2016).
Forschungspapier
M. Scheffler und : Three European Centers of Excellence in Computational Science. (133), 1–13 (2016).
, , , Heft (1)
2007
Heft
Scheffler, M. und : Focus on Advances in Surface and Interface Science. New Journal of Physics 9 (2007).
Editorial (1)
2023
Editorial
Ghiringhelli, L.M., C. Baldauf, , , C. Carbogno, , , , C. Draxl, , , , , , , , M.-O. Himmer, , , , , , , , B. Regler, , , , , , , , , und M. Scheffler: Shared Metadata for Data-Centric Materials Science. Scientific Data 10, 626 (2023).