Explore the challenges of time-dependent density functional theory in revealing mechanisms of light harvesting and charge separation in molecular systems through this 29-minute conference talk by Thiago Branquinho from UFABC. Delivered as part of the II ICTP-SAIFR Condensed Matter Theory in the Metropolis event held from November 9-11, 2022, gain insights into cutting-edge research in condensed matter physics and its applications in understanding molecular processes crucial for energy conversion and storage.