Quantum Solutions Materials Theorist

Quantum computing holds the promise of humanity’s mastery over the natural world, but only if we can build a real quantum computer. PsiQuantum is on a mission to build the first real, useful quantum computers, capable of delivering the world-changing applications that the technology has long promised.  We know that means we will need to build a system with roughly 1 million qubits that supports fault tolerant error correction within a scalable architecture, and a data center footprint.

By harnessing the laws of quantum physics, quantum computers can provide exponential performance increases over today’s most powerful supercomputers, offering the potential for extraordinary advances across a broad range of industries including climate, energy, healthcare, pharmaceuticals, finance, agriculture, transportation, materials design, and many more.

PsiQuantum has determined the fastest path to delivering a useful quantum computer, years earlier than the rest of the industry. Our architecture is based on silicon photonics which gives us the ability to produce our components at Tier-1 semiconductor fabs such as GlobalFoundries where we leverage high-volume semiconductor manufacturing processes, the same processes that are already producing billions of chips for telecom and consumer electronics applications. We also benefit from the quantum mechanics reality that photons don’t feel heat or electromagnetic interference, allowing us to take advantage of existing cryogenic cooling systems and industry standard fiber connectivity.

In 2024, PsiQuantum announced two government-funded projects to support the build-out of our first Quantum Data Centers and utility-scale quantum computers in Brisbane, Australia and Chicago, Illinois. Both projects are backed by nations that understand quantum computing’s potential impact and the need to scale this technology to unlock that potential. And we won’t just be building the hardware, but also the fault tolerant quantum applications that will provide industry-transforming results.

Quantum computing is not just an evolution of the decades-old advancement in compute power. It provides the key to mastering our future, not merely discovering it. The potential is enormous, and we have the plan to make it real. Come join us.

There’s much more work to be done and we are looking for exceptional talent to join us on this extraordinary journey!

Job Summary:

Are you passionate about advancing quantum materials theory and computational modeling? As a Quantum Materials Theorist, you will join an interdisciplinary team at the forefront of computational physics, materials science, machine learning, and quantum technologies. This role offers the opportunity to develop and refine theoretical and computational approaches for understanding and predicting material properties, contributing to next-generation technologies.

You will bring expertise in electronic structure theory, many-body physics, and computational methods to explore complex quantum materials and emergent phenomena. Your work will involve integrating conventional and emerging computational approaches, incorporating insights from machine learning, high-performance computing (HPC), and quantum computing to drive innovation in materials discovery and design.

This position provides the opportunity to engage in high-impact, collaborative research, working alongside specialists in quantum algorithms, materials informatics, computational physics, chemistry, and condensed matter modeling. If you thrive in an intellectually stimulating environment and enjoy tackling fundamental and computational challenges in quantum materials science, we encourage you to apply.

This position requires a PhD in computational physics (or a closely related field), preferably with postdoctoral research experience (although postdoc experience is not mandatory). We are looking for a curious, creative, and interdisciplinary thinker with a comprehensive understanding of various computational physics, chemistry, and machine learning methodologies. The ideal candidate should be an avid reader of scientific literature, have expert-level hands-on coding experience (e.g., Python, Fortran, or C++), and possess deep expertise and skills in methodology development, which may include contributions to open-source atomistic simulation software packages. While prior knowledge of quantum information and fault-tolerant quantum computing is highly preferred, it is not required.

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.

Experience/Qualifications:

Required:

• 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.

Preferred:

• 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.

PsiQuantum provides equal employment opportunity for all applicants and employees. PsiQuantum does not unlawfully discriminate on the basis of race, color, religion, sex (including pregnancy, childbirth, or related medical conditions), gender identity, gender expression, national origin, ancestry, citizenship, age, physical or mental disability, military or veteran status, marital status, domestic partner status, sexual orientation, genetic information, or any other basis protected by applicable laws.

Note: PsiQuantum will only reach out to you using an official PsiQuantum email address and will never ask you for bank account information as part of the interview process. Please report any suspicious activity to recruiting@psiquantum.com.

We are not accepting unsolicited resumes from employment agencies.