The main research objective of the COMPLEX project is to develop and identify methods used in quantum mechanics, statistics, and quantum information theory to model the energy transport in complex molecular networks.
Optimisation methods from mathematics and computer science will be applied to calculate the energy transfer in biological and artificially fabricated networks.
For a direct comparison of model-based predictions with experimental data for photosynthetic complexes, we will pursue a computationally efficient implementation of the underlying transport equations, including time dependent quantum-mechanical effects.
We will transfer our findings to other related systems such as nano-engineered networks, which are designed for efficient transport with applications in organic solar cells and light-emitting devices and to further complex systems.

Mirta Rodríguez is funded by the European commission with a Marie Sklodowska-Curie individual fellowship.

Publications

2020
Effect of disorder and polarization sequences on two-dimensional spectra of light harvesting complexes Photosynthesis Research, Vol.144, pp. 147-154, 2020 Tobias Kramer, Mirta Rodríguez BibTeX
arXiv
DOI
COMPLEX
Transient capture of electrons in magnetic fields, or: comets in the restricted three-body problem Journal of Physics: Conference Series, p. 012019, Vol.1612, 2020 Tobias Kramer BibTeX
arXiv
DOI
COMPLEX
2019
Branched Flow 2019 (under review) Eric J. Heller, Ragnar Fleischmann, Tobias Kramer BibTeX
arXiv
COMPLEX
Machine Learning of Two-Dimensional Spectroscopic Data Chemical Physics, Vol.520, pp. 52-60, 2019 Mirta Rodríguez, Tobias Kramer BibTeX
DOI
arXiv
COMPLEX
2018
Efficient calculation of open quantum system dynamics and time-resolved spectroscopy with Distributed Memory HEOM (DM-HEOM) Journal of Computational Chemistry, 39(22), pp. 1779-1794, 2018 Tobias Kramer, Matthias Noack, Alexander Reinefeld, Mirta Rodríguez, Yaroslav Zelinskyi BibTeX
arXiv
DOI
COMPLEX
Energy flow in the Photosystem I supercomplex: comparison of approximative theories with DM-HEOM Chemical Physics, Vol.515, pp. 262-271, 2018 Tobias Kramer, Matthias Noack, Jeffrey R. Reimers, Alexander Reinefeld, Mirta Rodríguez, Shiwei Yin BibTeX
arXiv
DOI
COMPLEX
2017
Modeling of Transient Absorption Spectra in Exciton Charge-Transfer Systems Journal of Physical Chemistry B, Vol.121, pp. 463-470, 2017 Tobias Kramer, Mirta Rodriguez, Yaroslav Zelinskyi BibTeX
DOI
arXiv
COMPLEX
Time-dependent wave packet simulations of transport through Aharanov–Bohm rings with an embedded quantum dot Journal of Physics: Condensed Matter, 29(15), p. 155301, 2017 Christoph Kreisbeck, Tobias Kramer, Rafael Molina BibTeX
DOI
COMPLEX
Two-dimensional electronic spectra of the photosynthetic apparatus of green sulfur bacteria Scientific Reports, Vol.7, p. 45245, 2017 Tobias Kramer, Mirta Rodriguez BibTeX
DOI
COMPLEX