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.