Research Scientist, Material Intelligence, 12-Month Fixed-Term Contract

We are seeking a highly motivated computational materials scientist to join our in-silico discovery efforts on a 12-Month Fixed Term Contract. We are hiring for multiple positions and are looking for candidates with deep expertise in simulating functional materials in areas such as superconductors, semiconductors, magnets and energy materials. This role is focused on hands-on modeling and in-depth analysis to help discover next-generation materials. You will be a key contributor to our computational team, designing and running advanced simulations and collaborating closely with senior researchers and AI specialists to refine the critical in-silico feedback loop that is at the heart of our mission.

Key responsibilities:

• Hands-on Simulation & Analysis: Execute and analyze advanced computational simulations (e.g., DFT, DFPT, MD, lattice models) with a strong focus on technologically  important properties of materials such as electronic, magnetic or optical properties etc.
• Discovery Campaigns: Contribute to the design and execution of computational screening campaigns to identify and optimize novel materials with desired properties.
• Workflow Execution: Utilize and help refine state-of-the-art computational tools and automated, high-throughput workflows on our large-scale compute infrastructure.
• Data Generation & Integrity: Ensure the generation of high-quality, reproducible computational data from your simulations. Contribute to structuring and curating simulation databases to train next-generation AI models.
• Cross-functional Collaboration: Work closely with AI researchers and software engineers to run scalable simulation pipelines based on AI-generated hypotheses and to help troubleshoot the simulation-to-reality gap.
• Reporting & Communication: Clearly and efficiently report on computational progress, new material predictions, and challenges to the computational team and wider Material Intelligence group.