About

 

 

Large molecules and their aggregates are core constituents of light accumulating systems of natural and artificial origin. They absorb photons in the spectral region covering most of the solar irradiation spectrum. Later conversion of the excitations into separated charge carriers allow for energy accumulation and storing.

Efficiency of various molecular networks playing is by a large extent determined by the  nuclear dynamics, which ranges from  coherent nuclear vibrations at high frequencies, to Brownian fluctuations (low frequency thermal vibrations as well as rotations) and up to conformational nuclear dynamics in molecular complexes.

The two dimensional electronic spectra (2DES), is the state of the art spectroscopy approach visualizing superpositions of excited states.  The 2DES applied for studies of the exciton dynamics have demonstrated a complex network of the energy transfer pathways as well as long-lasting coherent beats between vibronic states.

We apply theoretical physics and computer modelling approaches based on quantum relaxation theory in describing dynamics and spectroscopy of molecular systems. We evaluate the importance of coherence, entanglement and noise in the energy transport and its efficiency.

The impact of vibrational coherent modes on the 2DES spectra has been first described by our group. We have also devised a robust approach based on oscillation coherence maps to sort origins of the spectral beats. We have also showed how mixing of both, electronic and vibrational, degrees of freedom leads to complicated patterns in the 2DES oscillation maps.

Invited talks

• Molecular Nanotubes, International symposium, Berlin Germany, 2011.
• Short introduction to dynamics in nanomaterials, Summer school, Chang Chun, State Key Laboratory on Supramolecular materials, Jilin University, China 2012.
• Electronic excitation dynamics in molecular aggregates coupled to a vibrational bath, Exc 14, Rostock, Germany 2014.
• Electronic excitation dynamics in molecular aggregates coupled to a vibrational bath, International Workshop in Česke Budejovice – 2014, Czech rep.
• 2DES simulations of LH2 Qy spectra suggest anharmonic protein environment, ERPOS 2014, Vilnius, Lithuania.
• Electronic excitation dynamics in molecular aggregates coupled to a vibrational bath,  POCAONTAS Autumn School – 2014, Sintra, Portugal.
• Electronic spectroscopy of molecular systems: vibrons, polarons and temperature effects, QuEBS 2015: Workshop on Quantum Effects in Biological Systems, 2015 Florence, Italy.
• Correlations and Delocalization in an Excitonic Model, International Light Harvesting Satellite Meeting 2016, Egmond aan Zee, 2016, Netherlands.
• Simulations of vibrational relaxation effects in time resolved spectroscopy of carotenoids, The 18th International Symposium on Carotenoids 2017, Lucerne, Switherland.