Computational Quantum Chemist

Psi Quantum’s mission is to build the first useful quantum computers—machines capable of delivering the breakthroughs the field has long promised. Since our founding in 2016, our singular focus has been to build and deploy million-qubit, fault‑tolerant quantum systems.

Quantum computers harness the laws of quantum mechanics to solve problems that even the most advanced supercomputers or AI systems will never reach. Their impact will span energy, pharmaceuticals, finance, agriculture, transportation, materials, and other foundational industries.

Our architecture and approach is based on silicon photonics. By leveraging the advanced semiconductor manufacturing industry—including partners like Global Foundries—we use the same high‑volume processes that already produce billions of chips for telecom and consumer electronics. Photonics offers natural advantages for scale: photons don’t feel heat, are immune to electromagnetic interference, and integrate with existing cryogenic cooling and standard fiber‑optic infrastructure.

In 2024, Psi Quantum announced government‑funded projects to support the build‑out of our first utility‑scale quantum computers in Brisbane, Australia, and Chicago, Illinois. These initiatives reflect a growing recognition that quantum computing will be strategically and economically defining—and that now is the time to scale.

Psi Quantum also develops the algorithms and software needed to make these systems commercially valuable. Our application, software, and industry teams work directly with leading Fortune 500 companies—including Lockheed Martin, Mercedes‑Benz, Boehringer Ingelheim, and Mitsubishi Chemical—to prepare quantum solutions for real‑world impact.

Quantum computing is not an extension of classical computing. It represents a fundamental shift—and a path to mastering challenges that cannot be solved any other way. The potential is enormous, and we have a clear path to make it real.

Come join us.

Want to be at the forefront of using theoretical and computational chemistry, physics, and materials science to maximize the impact of quantum algorithms and fault‑tolerant quantum computing (FTQC) in generating exact and useful quantum data for a wide range of industrial applications? As a Computational Quantum Chemist, you will develop and apply advanced electronic‑structure and quantum‑chemistry methods at the interface of quantum computing and molecular and materials modeling.

You will work within an interdisciplinary research team to advance methodologies for correlated electronic systems and embedding, with an emphasis on enabling and evaluating quantum‑computing‑based workflows.

Within Psi Quantum’s Application Development team, you will integrate and develop computational chemistry approaches alongside emerging quantum algorithms and high‑performance computing (HPC), collaborating closely with quantum algorithm researchers and domain experts. Your work will connect quantum‑computed atomic and molecular properties with higher‑level materials and chemical behavior through rigorous computational modeling. These efforts will support innovations in applied fields such as energy materials, superconductors, batteries, drug design, and catalysis, among others.

This role offers the opportunity to conduct publishable research, build robust computational workflows, and contribute to interdisciplinary efforts across computational chemistry, materials science, and quantum computing.

• Conduct theoretical and computational research in electronic‑structure theory and quantum chemistry, including literature analysis, method development, and problem solving.
• Design, develop, and evaluate computational workflows that integrate established electronic‑structure methods with emerging quantum‑computing‑based approaches.
• Collaborate with quantum algorithm researchers to identify and assess areas where quantum computing can provide value for electronic‑structure and materials‑chemistry problems.
• Apply expertise in conventional (non‑quantum‑computing) algorithms to support the development, benchmarking, and validation of quantum algorithms.
• Develop computational workflows…