Publications of Matthias Scheffler
All genres
Thesis - PhD (29)
Thesis - PhD
On the theory of surface diffusion in InAs/GaAs(001) heteroepitaxy. Dissertation, Technische Universität, Berlin (2002)
Thesis - PhD
Reactions on surfaces with neural networks. Dissertation, Technische Universität, Berlin (2001)
Thesis - PhD
Theoretical investigations into adsorption and co-adsorption on transition-metal surfaces as models to heterogenous catalysis. Dissertation, Technische Universität, Berlin (2000)
Thesis - PhD
Dichtefunktionaltheoretische Untersuchung zur Wechselwirkung von H, He und Ne mit Metalloberflächen. Dissertation, Technische Universität, Berlin (1999)
Thesis - PhD
Winkelaufgelöste Photoemission von adsorbierten Schichten. Dissertation, Technische Universität, Berlin (1978)
Thesis - PhD
Winkelaufgelöste Photoemission von Adsorbatsystemen. Dissertation, Technische Universität Berlin, Berlin (1978)
Thesis - Diploma (1)
Thesis - Diploma
Polymerization of Carbon Nitride - experimental and theoretical investigation. Diploma, Freie Universität, Berlin (2006)
Thesis - Master (2)
Thesis - Master
First-principles Study of Thermoelectric Magnesium Silicides with High-Throughput Techniques. Master, Technische Universität, Berlin (2016)
Thesis - Master
Machine Learning of the Stability of Octet Binaries. Master, Technische Universität, Berlin (2016)
Thesis - Bachelor (1)
Thesis - Bachelor
Thermal Conductivities of Group IV and Group III-V Compound Semiconductors from First Principles. Bachelor, Technische Universität, Berlin (2018)
Working Paper (11)
Working Paper
The NOMAD Artificial-Intelligence Toolkit: Turning materials-science data into knowledge and understanding. (2022)
Working Paper
Shared Metadata for Data-Centric Materials Science. (2022)
Working Paper
Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions. (2022)
Working Paper
Interpretable Machine Learning for Materials Design. (2021)
Working Paper
Learning Rules for Materials Properties and Functions. (2021)
Working Paper
TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions. (2020)
Working Paper
Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces. (2019)
Working Paper
The (3×3)-SiC-(¯1¯1¯1) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search. (2019)
Working Paper
Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing. (2018)
Working Paper
Three European Centers of Excellence in Computational Science. Psi-k Scientific Highlight Of The Month (133) pp. 1 - 13 (2016), 13 pp.