Modeling polymer-drug interaction through spectroscopic and crystallographic experimentation
Improving bioavailability of poorly-soluble drugs and design new drug delivery system
Designing new photo-chromic materials for molecular switches
Chemical reaction dynamics: Computing chemical reaction paths
Predicting transition states and reaction rate constants
Density functional theory for predicting regioselectivity, nucleofugacity, electrophilicity, and providing new perspectives on the hard/soft acid/base principle.
Photo-chemical processes with means to control the dynamical outcomes – quantum control
Non-linear optical properties and designing new optical materials
Molecular dynamics simulation of proteins
Atom/molecule interaction with laser electric pulse
