Charge transport across insulating self-Assembled monolayers: Non-equilibrium approaches and modeling to relate current and molecular structure

Theoretical investigation of singlet fission in molecular dimers: the role of charge transfer states and quantum interference

Optimizing the efficiency of singlet fission in Perylenediimide (PDI) derivatives by crystal engineering: experiment and theory

Modeling molecular junctions

Probing Charge States in Molecular Junctions Using Raman Spectroscopy

Advantages and limitations of transition voltage spectroscopy: A theoretical analysis

Density functional theory based many-body analysis of electron transport through molecules