Jobs at CuspAI

You will lead the development of internal applications for material discovery, ensuring they are high-quality products through collaboration and iterative design.

As an ML Research Engineer, you will develop computational methods and infrastructure to enhance molecular simulations and machine learning force fields for materials discovery.

Develop intelligent agents for a materials discovery engine, orchestrating scientific workflows and integrating experimental design for sustainability solutions.

Lead and execute technical programs bridging AI/ML model development and experimental materials science. Translate scientific goals into deliverables, manage resources, timelines, compute, risks, partner collaborations, and scalable processes to accelerate discovery and customer projects.

3-month engineering internship to distill fast, accurate ML force fields for Monte Carlo (GCMC), integrate them into kUPS, validate against classical force fields, profile and optimize inference in the MC inner loop, curate datasets, and collaborate on benchmarks and publications.

Lead CuspAI's data strategy and team to acquire, generate, curate, and deliver ML-ready materials data. Build partnerships, prioritize data investments, oversee data-generation programs, set quality/provenance standards, and act as single point of accountability for research data commitments.

Own and scale People Operations: build and document end-to-end people processes, administer HRIS (e.g., Deel) and people data, ensure multi-jurisdictional compliance, support payroll/benefits and immigration, drive cross-functional projects, automate workflows, and serve as primary employee contact to maintain a reliable operational backbone during rapid growth.

The Data Engineer will build data pipelines for materials science, ensuring data quality and collaborating with ML researchers while managing large datasets.

Lead technical enablement and scientific advisory for partners adopting CuspAI's platform. Engage computational chemists and materials scientists, run workshops and code-alongs, create advanced developer resources (docs, notebooks, APIs), and drive cross-functional feedback into AI research and product. Support partner discovery sprints and co-author deep-tech content to showcase materials breakthroughs.

Lead global partnership efforts for CuspAI's AI Materials Foundry by building partner frameworks, coordinating cross-cultural operations across Europe, USA, and APAC, managing stakeholder engagement and timelines, and channeling partner feedback into product and research priorities while supporting events, marketing, and PR to accelerate platform adoption.