Simon Batzner
sbatzner at mit dot edu
About
I am a Master’s student in the Center for Computational Engineering. Before coming to MIT, I spent one year with the German SOFIA Institute at the NASA Armstrong Flight Research Center where I worked on mathematical modeling of piezoelectrics. I obtained a B.Sc. from the University of Stuttgart, Germany.
Research Interests
My research interests lie at the intersection of computational mathematics, machine learning, and materials physics. I am interested in leveraging machine learning to alleviate the computational cost of quantum electronic-structure calculations. More specifically, my current work focuses on uncertainty quantification in neural network potentials. Neural-network potentials offer the possibility to increase time and length scales in molecular dynamics calculations while obtaining very high accuracy. However, they currently do not come with a reliable means to capture model uncertainty. Through our work, we aim to enable more reliable and interpretable machine-learned potentials.