In this work, we demonstrate to atomic precision the structural origins of protein corona formation due to adsorption, driven only by the choice of functional groups on a graphitic material. Using graphene-oxide (GO) and double-clickable azide- and alkyne-double functionalised graphene oxide (C2GO) sheets, we study the adsorption of apolipoprotein c-3 …
In this work, we address the limitations in the performance of using generalised forcefields in molecular dynamics simulations for exotic materials such as graphene. We achievethis through ad hoc molecular dynamics forcefield parameterisation using density functional theory (DFT) calculations of a 1000 atom graphene-oxide (GO) system. The resulting forcefield parameters …
During the PyData2019 conference, I took part in the Democracy Hackathon, hosted by Newspeak House (The London College of Political Technologists), which took the format of a Kaggle-style machine learning competition for predicting the turnout of UK general elections. SixFifty has been working hard to source and produce model-ready datasets for solving …