Frontier Interfaces Group Laboratory

Research interests of Ahngroup include nano-to-macro scale molecular and supramolecular assemblies and focus on interface engineering, especially on augmented interface of water and ice. The synthesis of nanomaterials that converge π-molecules with biomolecules (DNA, proteins, lipids, etc.) is investigated to specifically detect biomolecules through photoelectric properties. We are studying structural and functional prediction of self-assembled artificial biomembranes and π-organic materials by using computational science. In order to improve the stability of the π-organic material, the stability of the structure and function of the material could be improved by applying the nano-silica-based stabilizing layer on the surface of the material. Incorporation of duplex DNA with higher molecular weights has attracted attention for a new opportunity towards a better organic light-emitting diode (OLED) capability. The specific oligomeric DNA–DNA recognition is successfully achieved by tri (8-hydroxyquinoline) aluminium (Alq3), an organic semiconductor. Alq3 rods crystallized with guidance from single-strand DNA molecules show, strikingly, a unique distribution of the DNA molecules with a shape of an ‘inverted’ hourglass. This research opens up new opportunities of Alq3, one of the most widely used OLED materials, enabling biological recognition. Nanoscale dynamics simulation has emerged as a powerful alternative method and has become an indispensable tool to complement conventional experimental methods. Quantum mechanics (QM) is used to optimize geometry and predict electronic structure of molecules. All-atom (AA) is used to describe the detailed molecular conformations such as ionic interaction, H-bond networks, and molecular chirality. Coarse-grained (CG) resolution is used