Head of AI Research

About the Role

A seed-stage deeptech startup at the frontier of AI-driven materials discovery is hiring a Head of AI Research to define and lead its AI-for-Materials research agenda. This is a founding-level research leadership role sitting at the intersection of machine learning, physics, chemistry, and automated experimentation. You will shape the systems and science that translate cutting-edge insights into reliable, end-to-end materials discovery pipelines — helping compress decade-long R&D timelines into years.

The company operates an autonomous laboratory platform that integrates robotics, physics-informed AI, and real-world experimental data to accelerate the discovery of next-generation materials, with a particular focus on the energy sector. The research team you build and lead will be central to the company's scientific differentiation and long-term impact.

This role requires on-site presence in Berlin, Germany. Visa sponsorship is not available.

What You'll Do

• Define how AI can understand, reason about, and discover materials across scales — setting the company's research thesis for AI-native materials discovery.

• Identify where existing ML paradigms fall short for physical matter and specify what must be built instead.

• Spearhead development of a Materials World Model that connects experiments, simulations, and learned representations.

• Establish and communicate a clear research vision and roadmap, framing thesis-level bets and high-impact research priorities.

• Lead cross-functional collaboration with Programs, Hardware & Automation, and Software Architecture teams to embed AI research into end-to-end discovery loops.

• Ensure all models and pipelines remain grounded in physical reality and validated by experimental feedback — not solely data-driven patterns.

• Balance long-horizon research ambition with near-term deliverables and scientific rigor.

• Build and lead a world-class research team: hire, mentor, and challenge senior ML researchers and scientists.

• Foster a culture that values deep thinking, honest evaluation, scientific taste, and intellectual courage.

• Influence the broader field through collaborations, publications, and a clear, opinionated point of view on future directions in scientific ML.

What We're Looking For

Required:

• Advanced degree (PhD preferred) in machine learning, physics, chemistry, or a closely related field, with strong scientific fundamentals.

• 7+ years of experience in AI research, including demonstrated leadership of senior individual contributors.

• Deep expertise in representation learning, scientific ML, or foundation models with relevance to materials science or physical systems.

• Strong intuition for physical systems, chemistry, or physics and their constraints on model design.

• Proven ability to operate at the boundary between theory, systems, and real-world experimental feedback.

• Demonstrated scientific judgment, comfort with irreversible prioritization under uncertainty, and clear communication skills across technical and non-technical audiences.

• Fluency in English; additional languages are a plus.

• Based in Berlin or willing to relocate.

Nice to Have:

• Experience in autonomous experimentation, active learning, or closed-loop discovery systems.

• Background in energy materials, catalysis, or adjacent fields.

• Track record of publications or contributions that have shaped a research subfield.

• Experience scaling research teams at an early-stage company or research lab.

Location & Work Arrangement

This is a full-time, on-site role based in Berlin, Germany. Candidates must be located in Berlin or willing to relocate. Visa sponsorship is not available.

Compensation & Benefits

Compensation details will be discussed during the interview process and will be competitive for a senior research leadership role at a well-funded deeptech startup. Equity participation is part of the package.