Rangsiman Ketkaew

I am a Postdoctoral Researcher in Machine Larning and Computational Chemistry at Theoretical Chemistry Lab, ETH Zürich, under the supervision of Markus Reiher. I work on graph transformers, generative models and LLM agentic AI system focusing on chemical reaction networks exploration.

I obtained a PhD from 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, 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, Bangkok, Thailand.

I improve and apply foundation ML models, next-generation LLM agent systems, and computational tools to accelerate drug discovery and decode molecular reactivity. By merging quantum chemistry with ML - including graph transformers, generative models, and symbolic regression - I model complex chemical spaces. My background also extends to R&D software engineering. I transform prototypes to scalable production using HPC environments, CUDA GPU acceleration, cloud infrastructure, and full-stack development.