Head of AI Research

About The Role

We are an emerging deeptech startup developing an advanced platform that accelerates material discovery by integrating physics-informed AI, robotics, and empirical experimental data, focused specifically on applications within the energy sector. We seek a Head of AI Research to establish and lead our AI-driven materials research vision.

This senior leadership position bridges machine learning, physics, chemistry, and automated experimentation disciplines, guiding the scientific roadmap that will convert cutting-edge research into dependable, holistic discovery workflows, while also assembling and leading a top-tier team.

Location: Berlin, Germany (on-site). Candidates must have the right to work in Germany without employer visa sponsorship.

Responsibilities

• Define and promote the core research thesis for AI-native methodologies in materials discovery, including setting visionary long-term research priorities and high-impact initiatives.
• Analyze shortcomings of current machine learning approaches for physical matter and pinpoint required novel methodologies to overcome these gaps.
• Drive the creation of a comprehensive Materials World Model that integrates experimental data, simulations, and learned representations.
• Collaborate with Programs, Hardware & Automation, and Software Architecture teams to incorporate research innovations into fully autonomous discovery systems.
• Guarantee models remain firmly rooted in experimental results and physical principles rather than abstract data alone.
• Manage the balance between aspirational, long-range research goals and immediate project milestones.
• Recruit, nurture, and lead a multidisciplinary team of senior researchers and scientists in machine learning.
• Encourage a culture centered on deep analytical thinking, rigorous evaluation, scientific excellence, and intellectual boldness.
• Shape and impact the wider scientific community through collaborations and by articulating a strong, informed perspective on future research directions.

Requirements

• Advanced academic qualification, preferably a PhD, in machine learning, physics, chemistry, or closely related scientific fields.
• At least seven years of experience in machine learning research including leadership roles overseeing senior researchers or teams.
• Specialized knowledge in physics-informed machine learning, representation learning, or foundation models related to materials science or similar physical science domains.
• Demonstrable experience building end-to-end discovery systems that unify experiments, simulations, and predictive models.
• A solid record in defining and steering research agendas by prioritizing under uncertainty and making strategic, high-stakes choices.
• Strong intuitive understanding of chemical and physical systems and their limitations.
• Excellent ability to communicate across disciplines, influencing both technical and non-technical stakeholders as well as external partners.
• Proficiency in English, with additional language skills being advantageous.
• Work authorization for Germany without needing employer visa sponsorship.

Preferred Qualifications

• Expertise in specialized scientific machine learning domains such as equivariant neural networks, generative models for molecular/material design, or hierarchical fidelity modeling.
• Experience working with automated or autonomous laboratory platforms.
• Knowledge of energy-related materials such as batteries, catalysts, or photovoltaic cells.
• Previous roles within research institutions, national labs, or deeptech startups.

Compensation & Benefits

Salary details are confidential but will be competitive and appropriate to the seniority and strategic value of this position, to be discussed throughout the hiring process.

Location

This full-time position requires presence onsite in Berlin, Germany. Candidates must have eligibility to work in Germany without visa sponsorship.