Publications of Matthias Scheffler
All genres
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.
1999
Thesis - PhD
Petersen, Max: Dichtefunktionaltheoretische Untersuchung zur Wechselwirkung von H, He und Ne mit Metalloberflächen.
1978
Thesis - PhD
Scheffler, Matthias: Winkelaufgelöste Photoemission von adsorbierten Schichten.
Thesis - PhD
Scheffler, Matthias: Winkelaufgelöste Photoemission von Adsorbatsystemen.
Thesis - Diploma (1)
2006
Thesis - Diploma
Cao, Jie: Polymerization of Carbon Nitride - experimental and theoretical investigation.
Thesis - Master (5)
2022
Thesis - Master
Zhao, Bo: Identifying descriptors for the in-silico, high-throughput discovery of the thermal insulators for thermoelectric applications.
2021
Thesis - Master
Lim, Bruce: Discussion, implementation and demonstration of AI-guided active workflows.
Thesis - Master
Oehlers, Melina: Identifying exceptional data points in materials science using machine learning.
2016
Thesis - Master
Ahmetcik, Emre: Machine Learning of the Stability of Octet Binaries.
Thesis - Master
Kowalski, Hagen-Henrik: First-principles Study of Thermoelectric Magnesium Silicides with High-Throughput Techniques.
Thesis - Bachelor (1)
2018
Thesis - Bachelor
: Thermal Conductivities of Group IV and Group III-V Compound Semiconductors from First Principles.
Working Paper (19)
2025
Working Paper
Kokott, Sebastian, Volker Blum and Matthias Scheffler: Efficient Computation of the Long-Range Exact Exchange using an Extended Screening Function.
Working Paper
, , , , , , Matthias Scheffler and Lucas Foppa: Modelling the Time-Dependent Reactivity of Catalysts by Experiments and Artificial Intelligence.
Working Paper
Nair, Akhil Sugathan, Lucas Foppa and Matthias Scheffler: Materials Database from All-electron Hybrid Functional DFT Calculations.
2024
Working Paper
, , Lucas Foppa, Kisung Kang, , , Akhil Sugathan Nair, , , Matthias Scheffler, , , and : Workflows for Artificial Intelligence.
Working Paper
Foppa, Lucas and Matthias Scheffler: Coherent Collections of Rules Describing Exceptional Materials Identified with a Multi-Objective Optimization of Subgroups.
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.
Working Paper
Moerman, Evgeny and Matthias Scheffler: Coupled-Cluster Theory for the Ground State and for Excitations.
Working Paper
Quan, J., Min-Ye Zhang, Matthias Scheffler and Christian Carbogno: Temperature-Dependent Electronic Spectral Functions From Band-Structure Unfolding.
Working Paper
Sugathan Nair, Akhil, Lucas Foppa and Matthias Scheffler: Materials-Discovery Workflows Guided by Symbolic Regression: Identifying Acid-Stable Oxides for Electrocatalysis.