Publications of Matthias Scheffler
All genres
Talk (192)
841.
Talk
The base of multi-scale modeling: Assessing the accuracy and reliability of electronic-structure theory. CECAM-Workshop on Perspectives and Challenges of Many-Particle Methods, Bremen, Germany (2011)
Thesis - PhD (37)
842.
Thesis - PhD
Machine Learning for Atomistic Modeling: Representations and Thermal Transport. Dissertation, Technische Universität, Berlin (2023)
843.
Thesis - PhD
Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework. Dissertation, Humboldt Universität zu, Berlin (2023)
844.
Thesis - PhD
Quasiparticle energies from second-order perturbation theory. Dissertation, Freie Universität, Berlin (2022)
845.
Thesis - PhD
Systematic identification of relevant features for the statistical modeling of materials properties of crystalline solids. Dissertation, Freie Universität, Berlin (2022)
846.
Thesis - PhD
Robust recognition and exploratory analysis of crystal structures using machine learning. Dissertation, Humboldt Universität, Berlin (2022)
847.
Thesis - PhD
Artificial intelligence for crystal structure prediction. Dissertation, Technische Universität, Berlin (2022)
848.
Thesis - PhD
Heat transport in strongly anharmonic solids from first principles. Dissertation, Humboldt-Universität zu, Berlin (2022)
849.
Thesis - PhD
Electrical conductivity from first principles. Dissertation, Humboldt-Universität zu, Berlin (2022)
850.
Thesis - PhD
Towards efficient novel materials discovery: Acceleration of high-throughput calculations and semantic management of big data using ontologies. Dissertation, Humboldt-Universität, Berlin (2022)
851.
Thesis - PhD
Surface Phase Diagrams Including Anharmonic Effects via a Replica-Exchange Grand-Canonical Method. Dissertation, Technische Universität, Berlin (2020)
852.
Thesis - PhD
First-principles Investigation of Small Polarons in Metal Oxides. Dissertation, Humboldt Universität, Berlin (2018)
853.
Thesis - PhD
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. Dissertation, Freie Universität, Berlin (2017)
854.
Thesis - PhD
Exploring Molecular Conformational Space. Dissertation, Freie Universität, Berlin (2016)
855.
Thesis - PhD
Adsorbate-adsorbate interactions on metal and metal oxide surfaces: critical role in surface structures and reactions. Dissertation, Technische Universität, Berlin (2015)
856.
Thesis - PhD
Strain and Stress: Derivation, Implementation, and Application to Organic Crystals. Dissertation, Freie Universität, Berlin (2015)
857.
Thesis - PhD
Charged point defects in oxides – a case study of MgO bulk and surface F centers. Dissertation, Technische Universität, Berlin (2013)
858.
Thesis - PhD
Density-functional theory and beyond for organic electronic materials. Dissertation, Technische Universität, Berlin (2013)
859.
Thesis - PhD
Theoretical Study of Material and Device Properties of Group-III Nitrides. Dissertation, University of California Santa Barbara, St. Barbara (2012)
860.
Thesis - PhD
Ab initio study of alanine-based polypeptide secondary-structure motifs in the gas phase. Dissertation, Technische Universität, Berlin (2011)