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.
Fields of science
- natural sciencescomputer and information sciencessoftware
- natural sciencesbiological sciencesbiochemistrybiomoleculesnucleic acids
- natural sciencesbiological sciencesgeneticsDNA
- natural scienceschemical sciencesphysical chemistryphotochemistry
- natural sciencescomputer and information sciencesartificial intelligencemachine learning
Programme(s)
Topic(s)
Funding Scheme
ERC-ADG - Advanced GrantHost institution
13284 Marseille
France
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Beneficiaries (1)
13284 Marseille
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