lilasciences · Cambridge, MA USA
Skills: Python
Your Impact at LILA Your role will involve applying computational condensed matter physics and electronic structure expertise to accelerate materials discovery, optimization, and understanding. You will use first-principles modeling, atomistic simulations, scientific machine learning, and agentic AI systems to investigate complex materials with direct relevance to superconductors, quantum materials, or electronic devices. You will work at the intersection of physics-based simulation, AI/ML, and autonomous scientific workflows. The focus is on using computational insight to identify promising materials, explain structure-property relationships, guide optimization, and help agents reason over simulation and experimental data in scientifically grounded ways. This is a hands-on research role for someone who can connect deep condensed matter and electronic structure expertise with practical materials discovery impact. You will collaborate with computational scientists, AI researchers, software engineers, and experimental teams to turn simulations, models, and scientific reasoning into actionable hypotheses and discovery workflows. What You'll Be Building Apply computational condensed matter physics to materials discovery and optimization. Use computational physics methods (such as electronic structure and phonon calculations) to study quantum materials, superconductors and electronic devices. Connect simulation outputs to experimental observations and develop workflows that close the loop between computation and experiment. Build predictive models from computational and experimental data to guide materials selection and optimization. Analyze simulation and experimental data to generate actionable materials hypotheses. Partner …truncated… ence™ to solve humankind's greatest challenges. We believe science is the most inspiring frontier for AI. Rather than hard-coding expert knowledge into tools, LILA builds systems that can learn for themselves. LILA combines advanced AI m…
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