Materials Theorist

Summary

Join PsiQuantum, a leader in quantum computing, as a Quantum Materials Theorist. You will contribute to the development of theoretical and computational approaches for understanding and predicting material properties, crucial for next-generation technologies. This interdisciplinary role involves collaborating with experts in quantum algorithms, materials informatics, and computational physics. You will leverage high-performance computing (HPC), machine learning, and quantum computing to drive innovation in materials discovery and design. A PhD in computational physics (or a closely related field) is required, along with expertise in electronic structure theory and many-body physics. The ideal candidate possesses strong coding skills and a proven publication record.

Requirements

• Ph.D. in theoretical or computational physics or a closely related field, with a focus on electronic structure and many-body physics
• Strong foundation in electronic structure theory, band structure calculations, and computational modeling
• Expertise in methodology development within density functional theory (DFT)
• Proficiency in scientific programming and algorithm development, with experience in Python, Fortran, or C++
• Familiarity with high-performance computing (HPC) environments and large-scale simulations
• Enthusiasm for interdisciplinary collaboration, working across physics, chemistry, materials science, machine learning, and computational research teams
• Strong peer-reviewed publication record

Responsibilities

• Conduct theoretical and computational research in materials theory and simulations, advancing methodologies for modeling electronic structure, strongly correlated systems, and emergent quantum phenomena
• Develop computational workflows that integrate established and emerging techniques, leveraging advances in high-performance computing (HPC), machine learning, and quantum computing
• Collaborate with quantum algorithm developers, computational physicists, and materials scientists to explore new frontiers in quantum materials modeling
• Contribute expertise in electronic structure theory and many-body physics to research efforts focused on understanding and predicting material properties
• Stay at the forefront of developments in computational materials science, incorporating state-of-the-art approaches into research projects
• Serve as a technical leader in interdisciplinary collaborations, working with internal and external teams on innovative solutions in quantum materials research
• Engage in external partnerships, scientific discussions, and technical communication to support the broader research and application of advanced computational materials methodologies
• Document research progress effectively and contribute to publications and external-facing materials that highlight advances in the field

Preferred Qualifications

• Experience with machine learning and data-driven approaches in computational modeling
• Experience with quantum algorithms, particularly their application to materials modeling and electronic structure problems
• Familiarity with wavefunction-based computational chemistry methodologies, including coupled-cluster, configuration interaction (CI), and multireference methods
• Expertise in many-body and strongly correlated systems, including Fermi-Hubbard models, tensor networks, and embedding theories
• Hands-on coding experience with Wannier function calculations

Benefits

• Full time roles are eligible for equity and benefits
• Base pay range: $140,000 — $190,000 USD