What We’re Looking For
We are looking for a Condensed Matter Physicist with a strong background to develop new theoretical and computational approaches to calculate intrinsic magnetic properties of materials. You will derive and implement formalisms that go beyond standard DFT treatments, bringing Green’s function and many-body methods to bear on one of the most practically important quantities in magnetic materials science.
You will be joining a small, highly ambitious team of world-class materials scientists, engineers, and AI researchers. We move fast and value people who are energised by that.
This is a role for someone who has a deep understanding of DFT and quantum many-body physics, is excited about pushing the boundaries of DFT, and make a meaningful contribution to material science.
What You’ll Do
Develop simplified, physically transparent methods for predicting main magnetic properties from first principles using Feynman diagrams, path integrals and other analytical and computational tools of contemporary quantum many-body theory.
Apply GW / DMFT, or other Green's function functionals where DFT self-interaction errors are significant, particularly for strongly-correlated
d
and
f
systems.
Collaborate with our DFT team to implement new formalisms in production workflows, and with our ML team to use improved predictions as training targets.
Maintain awareness of the broader literature on magnetism, spintronics, strong correlations, development of density and Green's function functionals and bring new ideas into our research programme.
Skills & Qualifications
PhD in theoretical or computational condensed matter physics.
Strong background in DFT and/or other first-principles methods.
Experience with Green’s function-based many-body methods: GW approximation, DMFT, or equivalent diagrammatic techniques.
Demonstrated ability to derive physical expressions analytically and implement them numerically — this is essential, not merely desirable.
Proficiency in Python and at least one compiled language (Fortran, C/C++, or Julia).
Evidence of significant research impact through publications on DFT, atomistic modelling, computational materials science, or related technical disciplines.
Nice to Have
Experience with Wannier functions and tight-binding downfolding (Wannier90 or equivalent).
Prior work directly related to magnetism of correlated electron systems.
Proficiency with popular DFT codes, such as VASP, Quantum Espresso, GPAW or equivalent.
Why Join Us
Do original theoretical work that directly feeds into a commercial materials discovery programme, rare for a role of this kind.
Collaborate with physicists who combine deep DFT expertise with ML and experiment in one team.
Diffractive is building the AI Material Scientist that autonomously learns from real-world experimentation to push the boundaries of scientific discovery. We're early, moving fast, and working on problems that genuinely matter.
You'll join a small, high-calibre team where your work has real impact from day one. We're London-based with a flexible approach to how and where you work. We offer competitive salary, generous equity and benefits. You'll have a real stake in what you build and in the company's overall success.
How to Apply
If you're excited about this role and believe you could thrive in it, we'd encourage you to apply even if you may not align with every part of the job description.
Diffractive is an equal opportunities employer. We are committed to creating an inclusive environment for all employees and welcome applications from people of all backgrounds, experiences, and identities.
If you require any adjustments or accommodations at any point during the interview process please let us know - we will be happy to help.
Hit the apply button below to submit your application. We are looking forward to hearing from you!