United Kingdom
I am highly interested in computational chemistry as it allows me to apply my different interests in Chemistry, Computer Science and Physics in one single area of modern research. More specifically, I am interested in the application of data science in chemical research and the development of multi-scale simulation methods. I did my Bachelors in general chemistry and my Masters, specialising in theoretical chemistry and computer science. Now I am in the third year of my PhD at UCL. My research focuses on developing machine learning-based methods for the simulation of the nucleation of flexible organic molecules from solution. Bachelor thesis: "Pressure correction in iterative hypernetted-chain coarse-graining methods" Master thesis: "Modelling inorganic crystalline electrolytes with neural network potentials: The case study of Na+ -β-alumina" PhD working title: "Machine Learning Nucleation Collective Variables using Graph Neural Networks"