Rangsiman Ketkaew

I am a Postdoctoral Researcher in Machine Learning and Computational Chemistry at the Theoretical Chemistry Lab, ETH Zürich, under the supervision of Markus Reiher. My research focuses on graph transformers, geometric ML, generative models, and LLM agent systems for chemistry applications.

I obtained my PhD from the Computational Chemistry Lab, University of Zürich, where I worked with Sandra Luber. Prior to my PhD, I was a Machine Learning Scientist for Drug Discovery and Cloud Architect at New Equilibrium Biosciences in Boston, MA, USA. I also served as a Machine Learning Consultant at Thinking Machines Data Science and worked as a technical writer at Cloud HM in Bangkok, Thailand.

My interests span the development and deployment of foundation ML models, generative LLM agent systems, and computational tools to accelerate drug discovery, and decode molecular properties and reactivity. By merging quantum chemistry with machine learning, I model complex chemical spaces. My background also extends to R&D software engineering, where I transform prototypes into scalable solutions using HPC environments, CUDA GPU acceleration, cloud infrastructure, and full-stack development.