SEMINAR: Bayliss Seminar Series

Molecular dynamics and quantum mechanical calculations are powerful scientific tools that are used to probe chemical and dynamic properties at the atomic level. They can offer useful insight into experimental outcomes and guide subsequent investigations. I will present three cases where molecular modelling has helped to direct and corroborate experiments:

1. Carbon nanotube based desalination membranes, [1] 2. Boron nitride nanotubes for biomedical applications, [2] 3. Self assembly of biological and organic systems.

[1] Thomas, M. and Corry, B, Phil. Trans. R. Soc. A, 2016, 374:20150020 [2] Thomas, M., Enciso, M., Hilder, T., J. Phys. Chem. B., 2015, 119:4929