Understanding diffusion of proteins in polymer solutions is of ubiquitous importance for modeling processes in vivo.We present a theoretical framework to an
Our works focus on the theoretical description of nonadiabatic dynamics on molecular excited states.The first topic of our group is to develop a user-friend
Newly developed global switching algorithm that does not require calculation of nonadiabatic coupling vector reduces computational cost significantly.Howeve
The state-to-state dynamics is a highly sought-after observable for photodissociation because it provides the most detailed information for dynamics.While photo
Conical intersections(CI)are crossings between potential energy surfaces of the same multiplicity that play a key role in photochemical and photophysical pr
Both enzymatic and non-enzymatic catalyses generally comprise many nonchemical steps,such as the formation of reactive configuration and the activation of p