Applied AI/ML Engineer (Agents) for Materials Discovery

Slashhash; Amsterdam; Hybrid; EUR 90,000 - 130,000; Full time

Job summary

CuspAI is seeking an Applied AI/ML Engineer (Agents) to design and build intelligent agents for our autonomous materials discovery engine. You will shape agentic frameworks and run experiments to advance our chemistry-informed AI research.

Collaborating with chemists and materials scientists, you will apply PyTorch or JAX to real-world sustainability challenges, delivering scalable software solutions and robust ML systems across multidisciplinary teams.

Qualifications

• Strong ML and software engineering skills; experience with PyTorch or JAX.
• Interest in solving global sustainability challenges.

Responsibilities

• Design and build intelligent agents for an autonomous materials discovery engine.
• Develop agentic frameworks and conduct experimental design.
• Collaborate with chemists and materials scientists across disciplines.

Skills

Machine Learning

Software Engineering

Interdisciplinary collaboration

Sustainability focus

Tools

PyTorch

JAX

CI/CD

MLOps

LLM-assisted programming

Agentic frameworks

Bayesian optimization

Active learning

Sequential decision-making

Materials science

Chemistry

Job description

CuspAI is seeking an Applied AI/ML Engineer (Agents) to design and build intelligent agents for our autonomous materials discovery engine. You will shape agentic frameworks and run experiments to advance our chemistry-informed AI research.

Collaborating with chemists and materials scientists, you will apply PyTorch or JAX to real-world sustainability challenges, delivering scalable software solutions and robust ML systems across multidisciplinary teams.