Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

These methods include computational chemistry based on quantum mechanics, force field models based on statistical mechanics, molecular dynamics and Monte Carlo simulation, and mesoscopic ...

The findings not only validate key theories of quantum mechanics but also pave the way for novel insights into light-harvesting systems and molecular devices. "This is the first time that this ...