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The Rabani Group

Atomistic nanoscale electronic structure • Quasiparticle dynamics  • Stochastic methods



Theoretical and Computational Nanoscience: Nanoscale materials are transforming scientific capabilities in imaging, sensing, and energy technology through their remarkable optoelectronic properties and tunability.  However, investigation of the fundamental properties of nanostructures requires  development of theoretical and computational tools to describe large-scale, strongly-correlated systems with accuracy beyond currently available techniques. We pioneer the development of stochastic electronic structure techniques to describe the ground and excited state properties in large-scale nanostructures. We capture carrier dynamics at the nanoscale, quasiparticle and collective excitation interactions, and finite temperature effects. 

Recent Publications

Theory of photoluminescence spectral line shapes of semiconductor nanocrystals

We develop an atomistic model to describe the PL spectrum of NCs, accounting for excitonic effects, phonon dispersion relations, and exciton-phonon couplings.

- Kailai Lin

Theorists Away From Keyboard

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