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SubNano SIGNED

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

Total Cost €

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EC-Contrib. €

0

Partnership

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 SubNano project word cloud

Explore the words cloud of the SubNano project. It provides you a very rough idea of what is the project "SubNano" about.

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Project "SubNano" data sheet

The following table provides information about the project.

Coordinator
UNIVERSITE D'AIX MARSEILLE 

Organization address
address: Boulevard Charles Livon 58
city: Marseille
postcode: 13284
website: n.a.

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country France [FR]
 Total cost 2˙498˙937 €
 EC max contribution 2˙498˙937 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2018-ADG
 Funding Scheme ERC-ADG
 Starting year 2019
 Duration (year-month-day) from 2019-09-01   to  2024-08-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITE D'AIX MARSEILLE FR (Marseille) coordinator 2˙498˙937.00

Map

 Project objective

My goal in the SubNano project is to massively speed up the dynamics simulation of photoexcited molecules to allow addressing sub-nanosecond phenomena (that is, one thousand times above the current limits).

The sub-ns methodology will be employed to investigate the long timescale nonadiabatic dynamics of photoinduced processes in nucleic acids, including DNA photostabilization via excitonic processes, biological fluorescent markers, and transient anion formation in DNA repair.

To fulfill these goals, I will develop and implement a series of methods to extend nonadiabatic dynamics simulations into the new timescale, mainly based on a novel adaptive diabatic machine learning algorithm and a novel zero-point-corrected and vibronically-corrected mixed quantum-classical method.

The sub-ns methodology will be constrained to be general (any kind or size of molecule), black-box (minimum user intervention), modular (adaptable to any electronic structure theory), on-the-fly (no need of precomputed potential energy surfaces), and local (independent-trajectories).

It will be implemented into the Newton-X software platform, which I have been the main designer and developer. It will also be made available for all academic community through new releases of Newton-X.

For the last 25 years, theoretical investigations of photodynamical processes have been restricted to the ultrafast (picosecond) regime, selectively choosing problems in this domain. The extension into the sub-ns regime is finally feasible thanks to a large algorithmic infrastructure I have built over the last 13 years, paving the grounds to develop a new research area, atomistic nonadiabatic dynamics on the long timescale.

The success of the SubNano project will have an enormous impact on the research field, allowing to investigate outstanding interdisciplinary phenomena in chemistry, biology, and technology, which have been neglected due to a lack of methods.

Are you the coordinator (or a participant) of this project? Plaese send me more information about the "SUBNANO" project.

For instance: the website url (it has not provided by EU-opendata yet), the logo, a more detailed description of the project (in plain text as a rtf file or a word file), some pictures (as picture files, not embedded into any word file), twitter account, linkedin page, etc.

Send me an  email (fabio@fabiodisconzi.com) and I put them in your project's page as son as possible.

Thanks. And then put a link of this page into your project's website.

The information about "SUBNANO" are provided by the European Opendata Portal: CORDIS opendata.

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