Research Projects
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Multi-scale modeling method for device simulations
Multiscale modeling has become a popular tool for research applying to different areas including materials science, microelectronics, biology, chemistry, etc. In this tutorial review, we describe a newly developed multiscale computational method, incorporating quantum mechanics into electronic device modeling with the electromagnetic environment included through classical electrodynamics.
Optoelectronic device simulations
Over the past 30 years, the world has witnessed the rapid development of optoelectronic devices based on III-V compound semiconductors. Past effort has mainly been directed to the theoretical understanding of, and the technology development for, these devices in applications in telecommunication networks and compact disk (CD) data storage.
Developing linear-scaling quantum mechanical methods
A linear-scaling time-dependent density-functional theory is developed to evaluate the optical response of large molecular systems. The two-electron Coulomb integrals are evaluated with the fast multipole method, and the calculation of exchange-correlation quadratures utilizes the locality of exchange-correlation functional within the adiabatic local density approximation and the integral prescreening technique.