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Past Ph.D. Theses from the Group
Author | Title | Defense | Download link |
|---|---|---|---|
M. Ditte | Molecules in Environments: Towards Systematic Quantum Embedding of Electrons and Drude Oscillators | Uni Luxembourg, 2024 | |
S. Góger | Development of Practical Non-Local Many-Body Polarization Functionals | Uni Luxembourg, 2023 | |
G. C. Fonseca | Machine Learning Force Fields Under the Microscope: Stability, Reliability, and Performance Analysis | Uni Luxembourg, 2023 | |
J. A. Charry Martinez | Chemistry and Physics of Positrons Interacting with Atoms, Molecules and Fields | Uni Luxembourg, 2023 | |
M. R. Karimpour | Intermolecular Interactions in Static Electric Fields Studied with Quantum Mechanics and Quantum Electrodynamics | Uni Luxembourg, 2022 | |
V. Vassilev Galindo | Machine Learning Force Fields: Towards Modelling Flexible Molecules | Uni Luxembourg, 2022 | |
M. Stöhr | Van der Waals Dispersion Interactons in Biomolecular Systems: Quantum-Mechanical Insights and Methodological Advances | Uni Luxembourg, 2020 | |
A. A. H. Zanjani | Thermodynamics and Aggregation Kinetics of Lysozyme-Derived Peptides | Uni Luxembourg, 2019 | |
W. Pronobis | Towards more Efficient and Performant Computations in Quantum Chemistry with Machine Learning | TU Berlin, 2020 | |
K. Schütt | Learning representations of atomistic systems with deep neural networks | Tu Berlin, 2018 | |
S. Chmiela | Towards Exact Molecular Dynamics Simulations with Invariant Machine-Learned Models. | TU Berlin, 2019 | |
J. Hoja | First principles modeling of molecular crystals: crystal structure prediction and vibrational properties. | Uni Luxembourg, 2018 | |
J. Hermann | Towards unified density-functional model of van der Waals interactions | HU Berlin, 2017 | |
N. Ferri | The Role of van der Waals Interactions on the Electronic Properties of Molecules and Materials. | TU Berlin, 2017 | |
V. Gonzalo Ruiz López | Adsorption of Atoms and Molecules on Surfaces: Density-Functional Theory with Screened van der Waals Interactions. | TU Berlin, 2016 | |
V. V. Gobre | Efficient modelling of linear electronic polarization in materials using atomic response functions. | TU Berlin, 2014 | |
G.-X. Zhang | Understanding the role of van der Waals forces in solids from first principles. | TU Berlin, 2014 |
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