Publications of Matthias Scheffler

Talk (192)

2011

Thesis - PhD (37)

2023
Thesis - PhD
M.F. Langer: Machine Learning for Atomistic Modeling: Representations and Thermal Transport. Technische Universität Berlin
Thesis - PhD
S. Bi: Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework. Humboldt Universität zu Berlin
2022
Thesis - PhD
M. Dragoumi: Quasiparticle energies from second-order perturbation theory. Freie Universität Berlin
Thesis - PhD
B. Regler: Systematic identification of relevant features for the statistical modeling of materials properties of crystalline solids. Freie Universität Berlin
Thesis - PhD
A. Leitherer: Robust recognition and exploratory analysis of crystal structures using machine learning. Humboldt Universität Berlin
Thesis - PhD
E. Ahmetcik: Artificial intelligence for crystal structure prediction. Technische Universität Berlin
Thesis - PhD
F. Knoop: Heat transport in strongly anharmonic solids from first principles. Humboldt-Universität zu Berlin
Thesis - PhD
Z. Yuan: Electrical conductivity from first principles. Humboldt-Universität zu Berlin
Thesis - PhD
M.-O. Lenz-Himmer: Towards efficient novel materials discovery: Acceleration of high-throughput calculations and semantic management of big data using ontologies. Humboldt-Universität Berlin
2020
Thesis - PhD
Y. Zhou: Surface Phase Diagrams Including Anharmonic Effects via a Replica-Exchange Grand-Canonical Method. Technische Universität Berlin
2018
Thesis - PhD
S. Kokott: First-principles Investigation of Small Polarons in Metal Oxides. Humboldt Universität Berlin
2017
Thesis - PhD
A. Ihrig: Lower-scaling advanced correlation methods with local Resolution of Identity strategies: A large-scale parallel and in-memory Laplace-Transformed MP2 for both molecular and periodic systems. Freie Universität Berlin
2016
Thesis - PhD
A. Supady: Exploring Molecular Conformational Space. Freie Universität Berlin
2015
Thesis - PhD
X. Zhao: Adsorbate-adsorbate interactions on metal and metal oxide surfaces: critical role in surface structures and reactions. Technische Universität Berlin
Thesis - PhD
F. Knuth: Strain and Stress: Derivation, Implementation, and Application to Organic Crystals. Freie Universität Berlin
2013
Thesis - PhD
N. Richter: Charged point defects in oxides – a case study of MgO bulk and surface F centers. Technische Universität Berlin
Thesis - PhD
V. Atalla: Density-functional theory and beyond for organic electronic materials. Technische Universität Berlin
2012
Thesis - PhD
Q. Yan: Theoretical Study of Material and Device Properties of Group-III Nitrides. University of California Santa Barbara St. Barbara
2011
Thesis - PhD
M. Rossi: Ab initio study of alanine-based polypeptide secondary-structure motifs in the gas phase. Technische Universität Berlin
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