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
Neural Network Quantum Molecular Dynamics, Intermediate Range Order in GeSe2, and Neutron Scattering Experiments Publications The Journal of Physical Chemistry Letters
Dielectric Constant of Liquid Water Determined with Neural Network Quantum Molecular Dynamics Publications Physical Review Letters
