The Section for Computational Chemistry of the Finnish Chemical Societies awards Adam Harmat’s MSc thesis “Molecular Dynamics Simulations on the Effect of Peptide Secondary Structure and Substrate Charge on Adsorption at Silica Surface”.
Adam Harmat’s MSc thesis represents an excellent work in the field of computational chemistry. The thesis work was carried out in the Department of Chemistry and Materials Science in Aalto University School of Chemical Engineering. The thesis describes the adsorption of peptides onto silica surfaces at different pH and ionic strengths using classical forcefield methods. The topic of the thesis is societally significant since peptide materials are utilized in a multitude of applications, such as drug delivery systems, adhesives, and dielectric materials. The thesis is well-written, has a fair logical structure, demonstrates a capable knowledge of the state-of-the-art, and is overall a fine scientific contribution.
You can find more information here http://urn.fi/URN:NBN:fi:aalto-202109059035
Honorary mention 2021
The Section for Computational Chemistry of the Finnish Chemical Societies decided to give an honorary mention to the MSc thesis of Kim Eklund “Modelling pyroelectricity with first-principles quantum chemical calculations”.
You can find more information here http://urn.fi/URN:NBN:fi:aalto-202109059017