In physics department of Temple University, the group of Professor Xifan Wu is focusing on studying the fundamental molecular structure, physical and chemical properties of liquid water and aqueous solutions. To this end, we are developing and applying advanced methods of ab initio molecular dynamics simulations, density functional theory, and electronic excitation theories.
Proton Transfer in Water: study the proton transfer phenomena in water by advanced ab initio molecular dynamics
Molecular structure of liquid water: studies by advanced density functional theory at high level approximation of Jacob’s ladder.
Electron excitation in water: Study the spectroscopy associated with electron excitation in water by using many-body perturbation theory such as GW-BSE approach.