Theoretical Studies of the Charge Transfer Mechanisms in Biological Systems with QM (MRSCI+DFT)/MM methods

Research Project Outline

To learn a way of producing materials in industry efficiently and safely from biological systems is considered helpful to solve the issue of the energy and environment crisis. In this project, a code for bio molecular simulations is newly developed for understanding the mechanisms of efficient charge transfers in the biological systems. As an application of it, the electron transfer in the photosynthetic reaction center will be studied for use of the solar energy in the future.