Theoretical studies of electronic and structural properties of molecules, effects ...
DEVELOPMENT OF NANOBISENSORS USING ADVANCED COMPUTATIONAL TECHNIQUES
Transition structures of chemical reactions in solution through the free energy gr...
Two-Photon Absorption Spectroscopy in Organic Molecules Including Solvent Effects
Simulating electronic transport using QM/MM and adaptive Monte Carlo methods: appl...
Environment effects on photosensitizer properties and energy transfer processes st...
Hibrid QM/MM methods applied to electronic transport simulations of graphene: appl...