PhD Position in Agentic AI-Driven Experiments for Materials Discovery Dutch Institute for Fundamental Energy Research DIFFER in Netherlands

PhD Position: Agentic AI-Driven Experiments for Materials Discovery at the Dutch Institute for Fundamental Energy Research (DIFFER), Eindhoven, The Netherlands.

This PhD project sits at the intersection of computer science, artificial intelligence, materials science, chemistry, and physics. The successful candidate will join the Autonomous Energy Materials Discovery (AMD) group and work on autonomous laboratory technologies for energy materials discovery. The project is carried out in close collaboration with an industrial partner developing generative AI for materials discovery.

The research goal is to build an agentic AI workflow that converts AI-proposed alloy compositions into executable synthesis and characterization plans, then generates experimental evidence about which candidates can actually be made. The work combines digital workflow development with substantial hands-on lab work: roughly one third of the time is devoted to the digital workflow and two thirds to experimental work. You will produce material libraries using a high-throughput nanoparticle printer and characterize them with micro-XRF and SEM. The project also emphasizes structured, machine-readable datasets, FAIR-aligned reporting, traceability, and feedback loops for AI model development.

Key topics include agentic AI, laboratory automation, workflow automation, Python, software engineering, reproducible research software, databases, data pipelines, high-throughput synthesis, and image/spectral data analysis. The role is especially suitable for candidates who want to work at the interface of AI and experimental materials research.

Eligibility highlights: a Master's degree in computer science, AI, data science, physics, chemistry, materials science, or a related field; strong Python and Git/testing skills; interest in LLM-based agents or tool-using AI systems; motivation for lab-based research; good English; and a meticulous, collaborative working style. Prior experience with nanoparticle printers, micro-XRF, or SEM is not required, though it is an advantage.

Funding and terms: this is a 4-year PhD position at 1 FTE. The starting salary is €3,115 per month, rising to €3,989 in the fourth year. The position is based at DIFFER in Eindhoven, The Netherlands, with employee status at NWO and access to employee benefits.

Application window: the deadline is 2026-10-25. Apply via the employer website only; complete applications must include a cover letter, CV, and transcripts of Master's and Bachelor's grades. Email applications will not be accepted.