Usman Ali

I hold a PhD in Physical Chemistry from the Institute of Chemistry Chinese Academy of Sciences (ICCAS), affiliated with the University of Chinese Academy of Sciences (UCAS). I subsequently completed two postdoctoral research appointments at the Institute of Physical Chemistry Polish Academy of Sciences and the University of Rome Tor Vergata.

I am a theoretical and computational chemist whose research focuses on understanding structure/property relationships in organic optoelectronic materials and sustainable solvent systems, with particular interests in organic solar cells, OLEDs, RTP/TADF emitters and deep eutectic solvents (DESs).

I combine electronic structure methods (DFT and TD-DFT) with multiscale molecular simulations (QM/MM and classical molecular dynamics) to investigate excited state processes, charge transfer, photophysical mechanisms and solute/solvent interactions that govern molecular properties, stability and device performance.