Quantum Chemistry Studies of New Materials Including COF and 2D Monolayers
These researchers are using accurate quantum chemistry calculations to study the properties of novel materials. These materials include covalent-organic frameworks and freestanding 2D monolayers, which may have interesting melting, physical, or optical properties. The researchers are interested in optical emission and absorption from infrared through the visible. They have also started to explore the geometry and dynamics of small molecules. Another project involves the binding of mussel-inspired adhesive proteins in an aqueous environment. The calculations include DFT methods and molecular dynamics simulations.
This research was featured in a Research Spotlight on the MSI website in May 2015.
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