Research Scientist, Generative Modelling for Materials and Chemistry

As a Research Scientist in our Science unit, you will be at the forefront of applying generative AI to the "Grand Challenge" of predicting the structure and properties of complex matter. You will build foundation models able to navigate vast chemical spaces, moving beyond traditional simulation to direct, high-speed prediction. Your work will bridge the gap between in silico modeling and real-world laboratory discovery, particularly in areas where traditional computational methods are bottlenecked by time and complexity. You will hill-climb evals that represent real-world applications using a problem focused approach, careful experimentation, and the latest technology in AI.

Key responsibilities: 

• Design and train advanced AI models (transformers, generative models, etc.) to model the structure and properties of complex physical systems.
• Develop deep understanding of scientific domains that can be used to identify novel modelling approaches.
• Design and execute robust ML experiments that allow for the accumulation of small improvements, sharing results through clear verbal and written communication.
• Collaborate with other scientists and engineers to help shape the research roadmap.

• PhD / equivalent experience in computer science, computational chemistry, materials science, physics with a focus on atomistic simulation or structural biology.
• Fluency in generative models and transformers
• Excellent collaboration and communication skills
• Experience with modern deep learning frameworks

• Record of high-impact published work at the intersection of AI and natural science, particularly chemistry and materials science.
• Demonstrated experience in geometric deep learning.