Implementing a Dispersive Interaction Database through Quantum Monte Carlo Research Project Chemistry
Equivariant Neural Networks for Modeling Physical Interactions: Curve Fitting or a New Way of Understanding Nature? Events 12/09/2021
Heterogeneous Catalysis as a Collective Phenomenon Within Dynamic Ensembles of States Research Project Chemistry
Electric-field-induced crossover of polarization reversal mechanisms in Al1−xScxN ferroelectrics Publications Nanotechnology
3D Electron Diffraction Structure Determination of Terrylene, a Promising Candidate for Intermolecular Singlet Fission Publications ChemPhysChem
Assessing Zethrene Derivatives as Singlet Fission Candidates Based on Multiple Descriptors Publications The Journal of Physical Chemistry C
Modeling dark-and light-induced crystal structures and single-crystal optical absorption spectra of ruthenium-based complexes that undergo SO2-linkage photoisomerization Publications The Journal of Chemical Physics
Dielectric Polymer Property Prediction Using Recurrent Neural Networks with Optimizations Publications Journal of Chemical Information and Modeling
