Gregor Simm

About

I am a senior researcher at Microsoft Research Amsterdam working at the intersection between machine learning and chemistry.

From 2018 to 2021, I was a research associate working with José Miguel Hernández-Lobato (opens in new tab) in the Machine Learning Group (opens in new tab) at the University of Cambridge. My research was supported by an Early Postdoc.Mobility fellowship of the Swiss National Science Foundation. From 2015 to 2018, I was pursuing my Ph.D. in theoretical chemistry under the supervision of Markus Reiher (opens in new tab) at ETH Zurich. I developed approaches for the exploration of complex chemical reaction networks with error estimation capabilities through the application of Bayesian statistics and machine learning. My work was supported by a fellowship of the Fund of the German Chemical Industry.

I completed my BSc. and MSc. at ETH Zurich in natural sciences (Focus: Chemistry and Physics, with distinction). I carried out my master's project in the group of Alán Aspuru-Guzik (opens in new tab) at Harvard University, where I applied Gaussian processes to predict the efficiency of organic photovoltaics.