CAREER: Theoretical investigation of optical properties of quantum dots using explicitly correlated methods

Syracuse University, Syracuse NY

Investigators

Abstract

Arindam Chakraborty of Syracuse University is supported by the Chemical Theory, Models and Computational Methods program in the Chemistry division to carry out research on explicitly correlated-wavefunction-based methods for the investigation of optical properties of nanoparticles. In this CAREER project, Professor Chakraborty and his research group develop quantum mechanical methods for investigating electron-hole and exciton-phonon interactions in quantum dots. These methods are used for examining the effects of physical and chemical transformations including, shape, size, structural strain, core/shell heterojunction and temperature on the optical properties of quantum dots. The educational plan focuses on mentoring high school students in the research program, including computational chemistry in undergraduate curriculum, and collaborating with high school teachers for promoting STEM education. This research project focuses on understanding the optical properties of quantum dots such as cadmium selenide and how these properties are affected by various factors such as size, shape, temperature, structural strain. The theoretical and computational tools developed in this project have applications in many technologically important research areas relevant to solar cells, light emitting devices, chemical sensing and bioimaging. Fundamental understanding of these processes can help in designing nanomaterials with enhanced photovoltaic and light-harvesting properties. The algorithms and the computational software developed in this project will be open-sourced and distributed to the community free-of-charge. The educational component is designed to mentor high school students in research and inspire the next generation of scientific researchers.