Congratulations to our PhD students Elena Betti and Piermarco Saraceno for their publication entitled "Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations" in The Journal of Physical Chemistry B. In the article, the energy transfer processes occurring inside a plant photosynthetic protein (LHCII) are simulated and compared to experimental evidence.
Challenges arising in the simulation of a large and complex system are here tackled by employing a composite computational strategy combining the strengths of molecular dynamics and machine-learning.
The work is available at https://doi.org/10.1021/acs.jpcb.4c01494
