Job Overview
Location
Amsterdam, NL
Job Type
Full-time
Category
Data Science
Date Posted
May 8, 2026
Full Job Description
đź“‹ Description
- • As an Applied ML Researcher (Force Fields and Simulation) at Cusp AI Ltd, you will advance molecular simulation capabilities by developing next-generation machine learning force fields and the infrastructure that powers them, directly enabling the discovery of breakthrough materials for energy, clean water, carbon capture, and future computing.
- • Your day-to-day work will involve training, fine-tuning, and distilling ML force fields; integrating models into high-performance simulators; building distributed training and inference systems using Ray; developing active learning loops between simulation and data generation; and collaborating with computational chemists on DFT data validation and interface design for domain scientists.
- • You will join a diverse, innovative team at the intersection of AI and materials science, working alongside world-leading researchers in AI, chemistry, and engineering to solve some of humanity’s hardest challenges through scalable, production-ready computational tools.
- • In this role, you will deepen your expertise in ML systems for scientific simulation, gain hands-on experience deploying models at scale, contribute to open and internal research impact, and help shape the future of AI-driven materials discovery with real-world applications in sustainability and technology.
🎯 Requirements
- • PhD or comparable professional experience in a quantitative field such as Computer Science, Physics, Applied Mathematics, Computational Science, or Machine Learning
- • Exceptional coding skills with strong command of modern software engineering practices
- • Deep production or research experience with distributed machine learning systems
- • Demonstrated technical excellence in building high-quality, performant systems beyond theoretical work
- • Genuine interest in applying AI to materials science and chemistry
🏖️ Benefits
- • Competitive salary plus equity package
- • 28 days holiday
- • Professional development budget for scientific conferences and technical training
- • Opportunity to work at the forefront of AI-driven scientific discovery with world-class researchers
- • Collaborative environment bridging AI research, computational chemistry, and experimental science
Skills & Technologies
About Cusp AI Ltd
Cusp AI is a Cambridge-based startup applying generative artificial intelligence and deep learning to the discovery and design of next-generation materials for carbon capture, hydrogen storage and other clean-energy applications. The company combines physics-informed models, molecular simulation and high-throughput cloud computing to predict and optimize porous frameworks such as metal-organic frameworks and covalent organic frameworks, dramatically reducing the time and cost needed to identify candidates for scalable carbon dioxide removal. Founded in 2023 by ex-Google researchers, Cusp AI collaborates with national laboratories and industrial partners to translate AI-generated molecules into pilot-scale demonstrations.
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