KIST’s thematic platforms were built to offer research environment of material simulations, even for experimentalists and students who never learned simulations. This platform provides computing resources and all kinds of software necessary for simulations; atomic structure modeling programs, simulation solvers (DFT, MD, MC and many others), solver GUI and data visualization programs. You don’t need any further software and high performance computers but only need the web browser.
qBaandi was designed for optical and electronic structure analysis for semiconductors, especially for quantum dots.
Luminescence calculations using effective mass approximation (EMA). PL intensity, wave functions of electrons and holes, optical gaps and switching intensity are available for quantum dots.
Electronic structure analysis using density funcitonal theory (DFT) calculations. Density of states, spin density, Mulliken charge and optical properties (dielectric functions, absorption intensity and optical conductivity) are available.
Simulations of quantum dot degradation using reactive force field (ReaxFF) molecular dynamics (MD).EXPERIMENTAL !!