Head of AI Research

ABOUT THE ROLE We are a seed-stage deeptech company building an advanced materials acceleration platform at the intersection of physics-informed AI, robotics, and autonomous experimentation — with a focus on the energy sector and beyond. Our mission: compress decades of materials discovery into years by connecting frontier machine learning with real-world experimental pipelines. We are looking for a Head of AI Research to define and lead our AI-for-Materials research agenda. This is a foundational leadership role for someone who wants to shape not just a team, but a new scientific discipline — inventing the representations, learning paradigms, and evaluation frameworks that will underpin the next generation of materials discovery. WHAT YOU'LL DO - Define a clear research vision and roadmap for AI-native materials discovery, setting thesis-level bets and identifying high-impact research directions. - Identify where existing ML paradigms fall short for physical matter and specify what must be built from the ground up. - Lead development of a Materials World Model that integrates experiments, simulations, and learned representations across scales. - Collaborate cross-functionally with Programs, Hardware & Automation, and Software Architecture teams to embed research into end-to-end discovery loops. - Ensure all models and pipelines are grounded in physical reality and continuously validated against experimental feedback — not just data-driven patterns. - Balance long-horizon research ambitions with near-term deliverables and scientific rigor. - Build, hire, mentor, and challenge a world-class team of senior ML researchers and computational scientists. - Foster a culture of deep thinking, honest evaluation, scientific taste, and intellectual courage. - Influence the broader field through external collaborations, publications, and a clear, opinionated point of view on the future of scientific AI. WHAT WE'RE LOOKING FOR Required: - Advanced degree (PhD strongly preferred) in machine learning, computational physics, chemistry, materials science, or a closely related field. - 7+ years of experience in AI/ML research, including demonstrated leadership of senior individual contributors. - Deep expertise in representation learning, scientific ML, or foundation models with relevance to physical or chemical systems. - Strong intuition for — or direct background in — physics, chemistry, or materials science and their governing constraints. - Proven ability to operate at the boundary between theory, systems, and real-world experimental feedback. - Demonstrated scientific judgment: comfort with irreversible prioritization calls under uncertainty, and the ability to communicate complex ideas clearly to diverse audiences. - English fluency required; additional languages are a plus. - Based in Berlin, Germany or willing to relocate. Nice to Have: - Experience working in or alongside autonomous laboratory / high-throughput experimentation environments. - Background at national labs, research institutes, or research-forward industry settings (e.g., materials, energy, or chemical sectors). - Track record of cross-disciplinary collaboration bridging ML and physical sciences. LOCATION & WORK ARRANGEMENT This is a full-time, on-site role based in Berlin, Germany. Candidates must be based in Berlin or willing to relocate. Visa sponsorship is not available for this position. WHY THIS ROLE - Rare opportunity to define an entire research discipline at an early-stage company with a technically ambitious mission. - Work at the frontier of AI and physical science — where models must meet reality. - Join a team with deep roots in top-tier research, national laboratories, and leading industrial science organizations. - Shape the team, culture, and scientific direction from the ground up.