Head of Materials AI

Merck•San Jose, CA

1d•Onsite

About The Position

EMD Electronics is undergoing a significant transformation in its R&D processes, with AI, automation, and connected data infrastructure set to revolutionize the entire materials discovery cycle. The Head of Materials AI will spearhead this change, leading a team and portfolio focused on this transformation. This role is not a starting from scratch; it involves scaling existing AI products, refining underperforming ones, and establishing the operational model for AI-amplified R&D. The scope includes a multi-year transformation portfolio covering AI co-scientists, Bayesian optimization, ML-based simulation, lab digitization, and ELN infrastructure across all global R&D sites. The position has direct influence on how R&D scientists conduct experiments, collect data, and analyze results, bridging the gap between AI capabilities and daily research practices. The role also involves external representation of EMD Electronics' AI leadership at conferences and other forums.

Requirements

Advanced degree (PhD or equivalent) in computer science, data science, chemistry, materials science, or a related field or equivalent experience.
10 + years leading technical teams and large-scale digital transformation programs, including exposure to R&D or science-driven organizations.
Hands-on experience with AI/ML — LLMs, Bayesian optimization, or data-driven modeling — in a real deployment context.
Track record delivering digital products in a complex, multi-stakeholder environment; ability to bridge data/AI strategy and operational delivery.

Nice To Haves

Experience in new product development, scale up commercialization.
Proficiency in agentic AI architectures, large language model-based systems, and modern data infrastructure.
Proven ability to drive technological adoption, not just building tools, but embedding them in how people work.
Experience leading international and multi-site teams of scientists and engineers across disciplines.
Understanding of scaled agile frameworks for managing concurrent digital programs.
Familiarity with research and development workflows and scientific data, including wet lab, simulation, or instrumentation contexts.
Background in semiconductor or specialty chemicals research and development is an advantage.
Executive communication and presence; comfortable presenting to senior leadership and external audiences.

Responsibilities

Define and execute the Materials AI roadmap across the Connected → Amplified → System-Ready R&D phases.
Own and prioritize a portfolio of concurrent AI and digital programs, managing budget, vendors, and delivery milestones.
Present strategy and progress to the Technology Leadership Board and Electronics CTO Team.
Lead and develop a multidisciplinary team (AI engineers, computational scientists, product managers, data governance) across Germany, the US, and Asia.
Foster cross-functional collaboration across CTO, R&D sites, DD&IT, and business functions globally.
Architect and scale a deployed multi-agent AI co-scientist platform into the primary R&D workflow tool.
Extend modeling and ML interatomic potential (MLIP) simulation capabilities to new material systems and R&D use cases.
Complete global lab digitization: 100+ instruments connected to ELN, 1.7M historical experiments migrated.
Build and maintain relationships with Electronics CTO, Technology Leadership Board, R&D site leads, and external vendors and partners.
Represent EMD Electronics' AI capabilities externally through conferences, partnerships, and customer engagements.