Electronic transitions and electron transfer in a photosynthetic reaction center

Линиите свързват координатора с партньорите.

Накратко на български

Цел на проекта

Research objectives and content The two basic objectives of this project are the following: | 1 ) asses a model to describe the best we can all single subsystems that are present in a Photosynthetic Reaction Center (RC). In this preliminary part we will refine the parameters to simulate chromophores consistently with their structural and spectroscopic data. A model of polarization will be introduced to account for solvent polarization effects on electronic transitions and the static charge model will be verified; 2) with the above refined models we will be able to investigate the effect of the environment on electronic transition of RC. The use of molecular dynamics simulation with an exact calculation of the electrostatic interactions and a multiple time scale method we will allow to carry out simulation for the entire system (about 35,000 atoms). In the framework of the spin-boson model we will compute the energy gap function and its related electronic spectra. In this fashion we hope to gain insights, at the atomistic level, in the mechanism which drives electron transfer in the RC. Training content (objective, benefit and expected impact) At the end of this project a vast experience in the application of numerical methods to the study of important problems relevant to biophysics will be achieved. In particular molecular dynamics, ab-initio and sempiempirical methods, and computation of optical properties from a serniclassical point of view. A benefit from the high multidisciplinar scientific level of the host institution will be a absolutely unique experience for future activitjes. Links s with industry / industrial relevance (22)

Оригинален текст от CORDIS (на английски).

Участници

• ECOLE NORMALE SUPERIEURE DE LYON · LYONКоординаторФранция

Връзки

• Виж в CORDIS