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
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
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...
