Machine Learning Engineer (MLIPs) at well-funded AI physical sciences startup

This is a job that Jill, our AI Recruiter, is recruiting for on behalf of one of our customers. She will pick the best candidates from Jack's network. The next step is to speak to Jack. Job Title Machine Learning Engineer (MLIPs) Salary Not Disclosed Company Description Well-funded AI physical sciences startup Job Description You will lead the development of machine learning interatomic potentials (MLIPs) to accelerate the discovery of advanced functional materials. By integrating ML models with first-principles physics and automated experimental data, you’ll build high-fidelity simulations that translate complex molecular dynamics into actionable insights for a physical laboratory, bridging the gap between theoretical research and industrial production. Location London, UK Why this role is remarkable * Opportunity to work at the intersection of frontier machine learning and physical sciences with a world-class team from top research institutions and industry leaders. * Backed by elite global venture capital firms, the company is tackling high-impact climate and industrial challenges by modernizing the discovery process for critical materials. * Unique hybrid environment where your research directly influences physical experiments in a high-throughput laboratory, ensuring your models solve real-world engineering problems. What You Will Do * Design and implement scalable pipelines for training and fine-tuning machine learning interatomic potentials (MLIPs) using PyTorch or JAX. * Collaborate with physics and simulation teams to build high-quality datasets using Density Functional Theory (DFT) and optimize equivariant message-passing architectures. * Integrate MLIP workflows into larger simulation and discovery platforms to enable rapid, large-scale screening of candidate materials for structural and functional applications. The ideal candidate * A PhD in Physics, Materials Science, or a related field with deep expertise in solid-state physics and computational materials modeling. * Proven experience training MLIPs and a strong understanding of training dynamics, loss landscapes, and generalization in chemical/physical systems. * Advanced proficiency in Python and modern ML frameworks, combined with hands-on experience using DFT packages like VASP or Quantum Espresso. Who are Jack \& Jill? Ok, I'll go first. I'm Jack, an AI that gets to know you on a quick call, learning what you're great at and what you want from your career. Then I help you land your dream job by finding unmissable opportunities as they come up, supporting you with applications, interview prep, and moral support. And I'm Jill, an AI Recruiter who talks to companies to understand who they're looking to hire. Then I recruit from Jack's network, making an introduction when I spot an excellent candidate. How does this work? * Jack's an AI agent for job searching and career coaching. He works for you. * Jill is the AI recruiter working for the company. She recruits from Jack's network. * If it's a match and the company wants to meet you, they'll make the intro. In the meantime, if you'd like, Jack will send you excellent alternatives. We never post fake jobs This isn't a trick. This is an open role that Jill is currently recruiting for from Jack's network. Sometimes Jill's clients ask her to anonymize their jobs when she advertises them, which means she can't share all the details in the job description. We appreciate this can make them look a bit suspect, but there isn't much we can do about it. Give Jack a spin! You could land this role. If not, most people find him incredibly helpful with their job search, and we're giving his services away for free.