Publications of Matthias Scheffler

Thesis - PhD (38)

2000
Thesis - PhD
Seitsonen, Ari Paavo: Theoretical investigations into adsorption and co-adsorption on transition-metal surfaces as models to heterogenous catalysis.
MPG.PuRe
Full
1999
Thesis - PhD
Petersen, Max: Dichtefunktionaltheoretische Untersuchung zur Wechselwirkung von H, He und Ne mit Metalloberflächen.
MPG.PuRe
Full
1978
Thesis - PhD
Scheffler, Matthias: Winkelaufgelöste Photoemission von adsorbierten Schichten.
MPG.PuRe
Thesis - PhD
Scheffler, Matthias: Winkelaufgelöste Photoemission von Adsorbatsystemen.
MPG.PuRe

Thesis - Diploma (1)

2006
Thesis - Diploma
Cao, Jie: Polymerization of Carbon Nitride - experimental and theoretical investigation.
MPG.PuRe
Full

Thesis - Master (5)

2022
Thesis - Master
Zhao, Bo: Identifying descriptors for the in-silico, high-throughput discovery of the thermal insulators for thermoelectric applications.
MPG.PuRe
Full
2021
Thesis - Master
Lim, Bruce: Discussion, implementation and demonstration of AI-guided active workflows.
MPG.PuRe
Full
Thesis - Master
Oehlers, Melina: Identifying exceptional data points in materials science using machine learning.
MPG.PuRe
Full
2016
Thesis - Master
Ahmetcik, Emre: Machine Learning of the Stability of Octet Binaries.
MPG.PuRe
Full
Thesis - Master
Kowalski, Hagen-Henrik: First-principles Study of Thermoelectric Magnesium Silicides with High-Throughput Techniques.
MPG.PuRe
Full

Thesis - Bachelor (1)

2018
Thesis - Bachelor
Müller, Paul Manuel: Thermal Conductivities of Group IV and Group III-V Compound Semiconductors from First Principles.
MPG.PuRe
Full

Working Paper (17)

2025
Working Paper
Mauß, Jonathan M., Klara Sophia Kley, Rohini Khobragade, Nguyen Khang Tran, Jacopo De Bellis, Ferdi Schüth, Matthias Scheffler and Lucas Foppa: Modelling the Time-Dependent Reactivity of Catalysts by Experiments and Artificial Intelligence.
MPG.PuRe
DOI
2024
Working Paper
Behler, Jörg, Gabor Csanyi, Lucas Foppa, Kisung Kang, Marcel F. Langer, Johannes T. Margraf, Akhil Sugathan Nair, Thomas A.R. Purcell, Patrick Rinke, Matthias Scheffler, Alexandre Tkatchenko, Milica Todorovic, Oliver T. Unke and Yi Yao: Workflows for Artificial Intelligence.
MPG.PuRe
DOI
pre-print
Working Paper
Foppa, Lucas and Matthias Scheffler: Coherent Collections of Rules Describing Exceptional Materials Identified with a Multi-Objective Optimization of Subgroups.
MPG.PuRe
pre-print
Working Paper
Kang, Kisung, Matthias Scheffler, Christian Carbogno and Thomas Purcell: Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials Through Active Learning.
MPG.PuRe
pre-print
Working Paper
Moerman, Evgeny and Matthias Scheffler: Coupled-Cluster Theory for the Ground State and for Excitations.
MPG.PuRe
pre-print
Working Paper
Quan, J., Min-Ye Zhang, Matthias Scheffler and Christian Carbogno: Temperature-Dependent Electronic Spectral Functions From Band-Structure Unfolding.
MPG.PuRe
pre-print
Working Paper
Sugathan Nair, Akhil, Lucas Foppa and Matthias Scheffler: Materials-Discovery Workflows Guided by Symbolic Regression: Identifying Acid-Stable Oxides for Electrocatalysis.
MPG.PuRe
pre-print
2023
Working Paper
Boley, Mario, Felix Luong, Simon Teshuva, Daniel F. Schmidt, Lucas Foppa and Matthias Scheffler: From Prediction to Action: The Critical Role of Proper Performance Estimation for Machine-Learning-Driven Materials Discovery.
MPG.PuRe
pre-print
Working Paper
Foppa, Lucas and Matthias Scheffler: Towards a Multi-Objective Optimization of Subgroups for the Discovery of Materials with Exceptional Performance.
MPG.PuRe
pre-print
Web-View
Print Page
Open in new window
Estimated DIN-A4 page-width
Go to Editor View