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Computational Photochemistry in the Long Timescale: Sub-ns Photoprocesses in DNA

Project description

Crossing the speed barrier to study sub-nanosecond photoprocesses in DNA

The goal of the EU-funded SubNano project is to achieve a much higher speed of the dynamics simulation of photoexcited molecules to enable studies of sub-nanosecond (sub-ns) events. The sub-ns methodology will be employed to investigate the long-timescale nonadiabatic dynamics of photoinduced processes in nucleic acids, including DNA photo stabilisation via excitonic processes, fluorescent markers and transient anion formation in DNA repair. The researchers will extend nonadiabatic dynamics simulations into the new timescale using adaptive diabatic machine learning algorithms as well as a zero-point-corrected and vibronically corrected mixed quantum–classical method. The extension of the theoretical investigations of photodynamical processes into the sub-ns regime will finally become a reality.

Host institution

UNIVERSITE D'AIX MARSEILLE
Net EU contribution
€ 2 498 937,50
Address
Boulevard Charles Livon 58 Le Pharo
13284 Marseille
France

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Region
Provence-Alpes-Côte d’Azur Provence-Alpes-Côte d’Azur Bouches-du-Rhône
Activity type
Higher or Secondary Education Establishments
Other funding
€ 0,00

Beneficiaries (1)

UNIVERSITE D'AIX MARSEILLE
France
Net EU contribution
€ 2 498 937,50
Address
Boulevard Charles Livon 58 Le Pharo
13284 Marseille

See on map

Region
Provence-Alpes-Côte d’Azur Provence-Alpes-Côte d’Azur Bouches-du-Rhône
Activity type
Higher or Secondary Education Establishments
Other funding
€ 0,00