Area of research
Atomic and Molecular Physics, and Optics · Electronic, Optical and Magnetic Materials
Research interest
Research interests include Computer science, Computational science, Focus (optics), Electronic structure, Software, and Singlet fission.
NOCI-F Electronic Couplings in Assemblies of Indolonaphthyridine Molecules: From Dimers to the Full Stack
Nonorthogonal Configuration Interaction for Singlet Fission: Beyond the Dimer
The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
A Nonorthogonal Configuration Interaction Approach to Singlet Fission in Perylenediimide Compounds
Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
GronOR: Scalable and Accelerated Nonorthogonal Configuration Interaction for Molecular Fragment Wave Functions
On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments
Gold Nanowires: A Time-Dependent Density Functional Assessment of Plasmonic Behavior
Molecular flexibility and structural instabilities in crystalline l-methionine