Computational Materials Scientist

About Atomic Tessellator

In the last year, our team of four has built a near-comprehensive platform to simulate almost everything there is to know about a material. We've completed pilot projects across aerospace, defence, nuclear fusion, and advanced polymers, we're the first to scale MLIPs across GPUs, and we're in the process of patenting our first rare-earth magnet substitute.

About the role

We have a rich set of materials science workflows, that govern everything from mechanical properties, magnetics, and radiation. We're seeking a senior computational materials scientist to help extend the Atomic Tessellator platform's capabilities.

You'll be working at the intersection of our distributed worker architecture and the laws of solid state physics, meaning:

• Keeping up with advances in both classical DFT as well as MLIPs.
• Building out bespoke features and capabilities for frontier engineering customers.
• Working with software engineers to ensure that different atomic systems are robust.
• Potentially overseeing our materials synthesis pipeline.

Our infrastructure is containerises common computational materials science operation - for example, supercell, special quasirandom structure, relaxation. This modularity lets us develop idiosyncratic capabilities on top (such as neutron irradiation), and chain them together with the other operations we've already built. We use Python.

What we look for

At a baseline we look for the following:

• Authenticity: you say what you think and do what you say
• Intelligence: you can't satisfy your curiosity
• Drive: you have short-term urgency but long-term patience
• Taste: you see and appreciate what others can't see

Things that are specific to this role;

• Strong understanding of materials science concepts (preferably a focus on crystalline or periodic structures)
• Familiarity with computational materials / calculators, such as DFT and force-field models
• An interest in the state of the art wrt. MLIPs (machine-learned potentials)
• Exceptional at programming