Autonomous Materials Discovery AI/ML Engineer

CuspAI; Greater London; Hybrid; GBP 100,000 - 150,000; Full time

Benefits offered by this job

Equity in CuspAI

28 days holiday (UK)

Professional development budget

Interdisciplinary teamwork

Office three days per week

Job summary

CuspAI in the UK is hiring an experienced Applied AI/ML Engineer (Agents) to design and build the intelligent agents powering our autonomous materials discovery engine. You will architect agentic frameworks, connect ML models, simulations, databases and compute backends, and enable agents to plan, schedule, execute and interpret tasks at scale.

Work closely with chemists and materials scientists across Cambridge, London, Amsterdam or Berlin, with in-office three days a week.

Qualifications

• Proficiency with the modern ML ecosystem and productionising ML systems.
• Experience turning prototypes into scalable production solutions.
• Background in AI for materials science or chemistry is a plus.

Responsibilities

• Design the agentic framework powering the platform across multi-stage workflows.
• Build integrations connecting agents to ML models, simulation engines and databases.
• Develop pipelines for autonomous planning, scheduling, execution and interpretation of tasks.

Skills

PyTorch

JAX

Software engineering

LLM programming

CI/CD

Education

PhD or Master in a relevant field

Tools

Docker

Kubernetes

ML Ops tooling

Job description

CuspAI in the UK is hiring an experienced Applied AI/ML Engineer (Agents) to design and build the intelligent agents powering our autonomous materials discovery engine. You will architect agentic frameworks, connect ML models, simulations, databases and compute backends, and enable agents to plan, schedule, execute and interpret tasks at scale.

Work closely with chemists and materials scientists across Cambridge, London, Amsterdam or Berlin, with in-office three days a week.