| Molecules in Environments: Towards Systematic Quantum Embedding of Electrons and Drude Oscillators | | |
| Development of Practical Non-Local Many-Body Polarization Functionals | | |
| Machine Learning Force Fields Under the Microscope: Stability, Reliability, and Performance Analysis | | |
| Chemistry and Physics of Positrons Interacting with Atoms, Molecules and Fields | | |
| Intermolecular Interactions in Static Electric Fields Studied with Quantum Mechanics and Quantum Electrodynamics | | |
| Machine Learning Force Fields: Towards Modelling Flexible Molecules | | |
| Van der Waals Dispersion Interactons in Biomolecular Systems: Quantum-Mechanical Insights and Methodological Advances | | |
| Thermodynamics and Aggregation Kinetics of Lysozyme-Derived Peptides | | |
| Towards more Efficient and Performant Computations in Quantum Chemistry with Machine Learning | | |
| Learning representations of atomistic systems with deep neural networks | | |
| Towards Exact Molecular Dynamics Simulations with Invariant Machine-Learned Models. | | |
| First principles modeling of molecular crystals: crystal structure prediction and vibrational properties. | | |
| Towards unified density-functional model of van der Waals interactions | | |
| The Role of van der Waals Interactions on the Electronic Properties of Molecules and Materials. | | |
| Adsorption of Atoms and Molecules on Surfaces: Density-Functional Theory with Screened van der Waals Interactions. | | |
| Efficient modelling of linear electronic polarization in materials using atomic response functions. | | |
| Understanding the role of van der Waals forces in solids from first principles. | | |