Light-Induced Function

Light-Induced Function

#LIFETimeS #WebSite
From Excitation to Signal

From Excitation to Signal

#LIFETimeS #website
Through Time and Space

Through Time and Space

#LIFETimeS #WebSite
Light-Induced Function

Light-Induced Function

#LIFETimeS #WebSite
From Excitation to Signal

From Excitation to Signal

#LIFETimeS #WebSite
Through Time and Space

Through Time and Space

#LIFETimeS #WebSite

A Machine Learning Approach for Fast Exciton Hamiltonians

A Machine Learning Approach for Fast Exciton Hamiltonians

We propose a machine learning (ML)-based strategy for an inexpensive calculation of excitonic properties of light-harvesting complexes (LHCs). The strategy uses classical molecular dynamics simulations of LHCs in their natural...

Our study on a bacterial antenna complex published in Photosynthesis Research

Our study on a bacterial antenna complex published in Photosynthesis Research

Purple bacteria synthesize highly symmetric protein complexes which contain bacteriochlorophyll and carotenoid pigments, and serve as molecular antennas to harvest sunlight. These antenna complexes called LH2 come in diverse shapes...

New Article in The Journal of Physics: Condensed Matter

New Article in The Journal of Physics: Condensed Matter

Electronic couplings are key to understanding exciton delocalization and transport in natural and artificial light harvesting processes. We develop a method to compute couplings in multichromophoric aggregates embedded in complex...

 

LIFETimes
Light-Induced Function: from Excitation to Signal through Time and Space
ERC-2017-ADG (n. 786714)

erc logoOrganisms of all domains of life are capable of sensing, using and responding to light. The molecular mechanisms used are diverse, but most commonly the starting event is an electronic excitation localized on a chromophoric unit bound to a protein matrix. The initial excitation rapidly “travels” across space to be converted in other forms of energy and finally used to complete the biological function. The whole machinery spans many different space and time scales: from the ultrafast electronic process localized at the subnanoscale of the chromophoric units, through conformational processes which involve large parts of the protein and are completed within micro- to milli-seconds, up to the activation of new protein-protein interactions requiring seconds or more. Theoretically addressing this cascade of processes calls for new models and computational strategies able to reproduce the dynamics across multiple space and time scales. Such a goal is formidably challenging as the interactions and the dynamics involved at each scale follow completely different laws, from those of the quantum world to those of classical particles. Only a strategy based upon the integration of quantum chemistry, classical atomistic and coarse-grained models up to continuum approximations, can achieve the required completeness of description. This project aims at developing such integration and transforming it into high-performance computing codes. The completeness and accuracy reached by the simulations will represent a breakthrough in our understanding of the mechanisms, which govern the light-driven bioactivity. Through this novel point of observation of the action from the “inside”, it will be possible not only to reveal the ‘design principles’ used by Nature but also to give a “practical” instrument to test “in silico” new techniques for the control of cellular processes by manipulating protein functions through light.


LIFETimeS page on OpenAIRE
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NEW VIDEO: LHCII

NEW VIDEO: LH2 hq

LifeTimes
Dipartimento di Chimica e Chimica Industriale
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56124 - Pisa, Italy
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This project has received funding from the European Research Council (ERC) 
under the Horizon 2020 research and innovation programme
(Grant agreement No. 786714)