The Section for Computational Chemistry of the Finnish Chemical Societies awards Perttu Hilla’s MSc thesis entitled ”Molecular Dynamics of Xenon in Cryptophane-A”.
Perttu Hilla’s MSc thesis is an exemplary work in the field of computational chemistry. The thesis work was carried out in the Faculty of Science in University of Oulu. In the thesis, MD simulations are utilised to study cryptophane-A, one of the most important host molecules for xenon biosensors. The results shed light on the energetics and route of xenon exchange and the water dynamics associated with that. The research is extensive and state-of-the-art. The thesis is well-written and the results are presented in a clear fashion.
You can find more information here http://jultika.oulu.fi/Record/nbnfioulu-202112089256