Publications of Matthias Scheffler
All genres
Talk (193)
2012
Talk
Scheffler, Matthias: Setting the stage for a successful MGI.
(Plenary Talk at the Materials Gerome Initiative Workshop of the National Science Foundation, Arlington, Virginia, USA, Dec 2012).
Talk
Scheffler, Matthias: Role of van der Waals Interactions in Adsorption of Organic Molecules at Inorganic Surfaces.
(25th Symposium on surface science, St.Christoph/Arlberg, Austria, Mar 2012).
2011
Talk
Scheffler, Matthias: 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, Sep 2011).
Thesis - PhD (37)
2023
Thesis - PhD
Bi, Sheng: Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework.
Thesis - PhD
Langer, Marcel Florin: Machine Learning for Atomistic Modeling: Representations and Thermal Transport.
2022
Thesis - PhD
Ahmetcik, Emre: Artificial intelligence for crystal structure prediction.
Thesis - PhD
Dragoumi, Maria: Quasiparticle energies from second-order perturbation theory.
Thesis - PhD
Knoop, Florian: Heat transport in strongly anharmonic solids from first principles.
Thesis - PhD
Leitherer, Andreas: Robust recognition and exploratory analysis of crystal structures using machine learning.
Thesis - PhD
Lenz-Himmer, Maja-Olivia and Matthias Scheffler: Towards efficient novel materials discovery: Acceleration of high-throughput calculations and semantic management of big data using ontologies.
Thesis - PhD
Regler, Benjamin: Systematic identification of relevant features for the statistical modeling of materials properties of crystalline solids.
Thesis - PhD
Yuan, Zhenkun: Electrical conductivity from first principles.
2020
Thesis - PhD
Zhou, Yuanyuan: Surface Phase Diagrams Including Anharmonic Effects via a Replica-Exchange Grand-Canonical Method.
2018
Thesis - PhD
Kokott, Sebastian: First-principles Investigation of Small Polarons in Metal Oxides.
2017
Thesis - PhD
Ihrig, Arvid: 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.
2016
Thesis - PhD
Supady, Adriana: Exploring Molecular Conformational Space.
2015
Thesis - PhD
Knuth, Franz: Strain and Stress: Derivation, Implementation, and Application to Organic Crystals.
Thesis - PhD
Zhao, Xunhua: Adsorbate-adsorbate interactions on metal and metal oxide surfaces: critical role in surface structures and reactions.
2013
Thesis - PhD
Atalla, Viktor: Density-functional theory and beyond for organic electronic materials.
Thesis - PhD
Richter, Norina: Charged point defects in oxides – a case study of MgO bulk and surface F centers.