Applied AI/ML Engineer (Agents)
CuspAI is an AI-for-science company developing an AI platform for targeted materials discovery.
Funding history
About CuspAI
CuspAI combines generative AI, high-fidelity simulation, synthesis planning, and laboratory validation to develop novel materials for applications including semiconductors, energy, water purification, and climate technology.
Skills
Candidate Availability
Required and preferred rules are kept separate and reflect the wording in the original posting.
About the Role
You will design and build agentic systems for autonomous materials discovery. You will integrate agents with ML models, simulations, databases, and compute backends; develop long-running decision workflows; improve planning with expert feedback; evaluate agent effectiveness; and help connect simulation outcomes to physical experiments.
Requirements
- Proficiency with modern ML ecosystems such as PyTorch or JAX
- Experience taking ML-driven systems from prototype to production
- Strong production software engineering skills, including testing, modular design, CI/CD, and scalable ML operations
- PhD or Master's degree and 4–5 years of industry experience preferred, or a PhD with somewhat less industry experience
- Willingness to learn materials science and experimental chemistry
- Experience with LLM-assisted programming
Responsibilities
- Design the agentic framework for multi-stage materials-discovery workflows
- Integrate agents with ML models, simulation engines, databases, and compute backends
- Build pipelines for agents to plan, schedule, execute, and interpret computational tasks
- Use expert annotations to improve agent planning, retrieval, and decision-making
- Create evaluations for agent effectiveness
- Build agents for experimental design using sequential decision-making methods
- Develop multi-fidelity and multi-objective decision-making strategies
- Help connect simulations with physical experiments and retain outcomes as durable knowledge
- Collaborate with chemists and materials scientists
- Implement requirements for customer projects
Benefits
- Equity in CuspAI
- 28 days holiday in Germany, the Netherlands, and the UK, or 21 days holiday in Japan, Singapore, and the US, plus local public holidays
- 26 weeks of fully paid parental leave for primary caregivers and 12 weeks for secondary caregivers
- Professional development budget