PhotoCaM · Photosynthetic Antennas in a Computational Microscope: Training a new generation of computational scientists

Photosynthetic Antennas in a Computational Microscope: Training a new generation of computational scientists

Photosynthesis is a natural process that relies on harvesting solar energy and transforming it into chemical energy. In addition to its ecological importance, obtaining a better molecular-level understanding of photosynthesis, particularly of the light-harvesting process, is important because it is of key significance. First, understanding the molecular basis of photosynthetic light harvesting and its regulation can advance our fundamental knowledge of nature's working principles and guide the rational design of organic solar cells. Second, controlling photosynthesis is a strategy for optimizing crop productivity using biotechnological solutions. A comprehensive understanding of photosynthesis requires strong multidisciplinary approaches, both experimental and computational. The project "Photosynthetic Antennas in a Computational Microscope: Training a New Generation of Computational Scientists” (PhotoCAM) focuses on theoretical and computational approaches, with a strong emphasis on calculating experimental observables to establish a clear connection to experiments. There are common design principles in the organization of the photosynthetic apparatus, especially in green plants and algae like diatoms. Solar energy is first captured by pigments, such as chlorophyll and carotenoids, which are bound to light-harvesting complexes. These complexes are pigment-binding proteins embedded within the thylakoid membrane, a lipid membrane. Excitation energy from absorbed photons is converted into chemical energy within the photosystems. Ηigh-resolution techniques such as X-ray crystallography and cryogenic electron microscopy have provided atomistic details of the protein complexes involved in light harvesting. This project aims to further develop, validate, and apply state-of-the-art, multi-scale methodologies that allow for simulations of photo-initiated exciton transfer in light-harvesting systems based purely on atomistic grounds. Work packages combining atomistic simulations that analyze conformational changes, quantum chemical and dynamics calculations that determine electronic excitations and their transfer in these systems, and the determination of spectroscopic properties that connect to experiments form a powerful computational toolbox for a detailed assessment of the underlying processes in light harvesting. Beyond advancing our understanding of the fascinating process of light harvesting and its variations in land and aquatic organisms, this knowledge could be applied by molecular biologists in academia and industry to modify plants and improve crop yields, helping to feed the growing global population.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз