Center for Relativistic Laser Science

■  SPEAKER

Prof. Seogjoo J. Jang (City University of New York)

■  TITLE

Integrative and coarse-grained simulation approaches for quantum transport of excitons and charge carriers in complex molecular environments

■   ABSTRACT

For the development and refinement of novel solar light harvesting, energy storage, and quantum sensing devices, efficient computational methods to describe and model the quantum dynamics of excitons and charge carriers in complex and confined molecular environments play crucial roles.  However, despite recent advances in theories and computational methods, a satisfactory and integrative theoretical approach that offers unambiguous interpretation of various dynamics and spectroscopic data on exciton and charge transfer/transport in a consistent manner, while also based on well-established molecular level models, is difficult to find.  This is because of the confluence of intrinsic quantum nature of excitons and charge carriers and their interactions with environments that have the following three notable features: (i) Energetics that tend to be sensitive to minute molecular level details; (ii) Dynamics and fluctuations spanning a broad range of time and length scales; (iii) Lack of symmetries that disallows reduction of actual dimensionality of calculation and simulation.  The present talk highlights some of our on-going development of theoretical and computational methods suitable for addressing these issues, and new theories for modeling dynamics and spectroscopic data.  The possibility of integration of these approaches in a consistent manner based on model Hamiltonian and its impact are illustrated by both simple model systems, light harvesting complexes, and organic molecular aggregates.

■   DATE AND VENUE

Mar 14, 2023 (Tuesday, 5:00 p.m. - 6:00 p.m.)

■   LANGUAGE

Korean

■   INVITED BY

    Director Minhaeng Cho