Quantum Scientist — Chemistry

Xanadu; United States; On-site; USD 140,000 - 210,000; Full time

Job summary

Xanadu is seeking a quantum scientist to join a team of researchers working on fault-tolerant quantum computers with applications in chemistry. You will contribute to cutting-edge quantum algorithms, optimize performance, and identify high-value applications across industries, collaborating with software, hardware, and business teams.

You will publish results, generate IP, and present findings at premier conferences and events, while working with industry, government, and academic partners.

Qualifications

• PhD in Chemistry, Physics, or a related quantitative discipline — or equivalent practical experience.
• Strong track record of research in computational chemistry and quantum computing.
• Deep knowledge of quantum chemistry methods for ground and excited states (DFT, CASSCF, MRCI, DMRG, CC, QMC, etc.).
• Knowledge of Hamiltonian simulation, Trotter formulas, QSP, LOUs, amplitude amplification, QPE, and RWM.
• Experience in quantum chemistry software and collaboration with partners across industry or government.

Responsibilities

• Designing and pioneering innovative quantum algorithms for fault-tolerant quantum computers in chemistry.
• Radically improving algorithm efficiency by reducing qubit counts and gate complexity.
• Collaborating with PennyLane software developers to create state-of-the-art tools.
• Authoring scientific papers, reports, and contributing to IP filings.

Skills

Quantum chemistry

Quantum computing

Python programming

High-performance computing

Scientific communication

Education

PhD in Chemistry or Physics

Tools

PySCF

Gaussian

Q-Chem

ORCA

Psi4

NWChem

MOLCAS

GAMESS

Job description

Xanadu’s mission is to build quantum computers that are useful and available to people everywhere.

At Xanadu, we are learners, innovators, researchers, collaborators, and problem solvers. We are creating something that has never been built before. What we are doing is extremely hard, the classic moon shot. Few people in their life will be able to be a part of something like this, where if we are successful, the technologies we develop will solve some of the world’s most challenging problems, and literally change the world. That is something to be excited about!

Your Role and Responsibilities

As a quantum scientist, you will join a technical team of scientists dedicated to unlocking the real-world impact of fault-tolerant quantum computers. You will contribute to discovering cutting-edge quantum algorithms, rigorously optimizing their performance, and identifying valuable applications across a variety of industries. Whether your primary strength is pioneering algorithms or uncovering novel applications, this role thrives at the intersection of both. At Xanadu, this research is conducted alongside industry, government, and academic partners, requiring close collaboration with software, hardware, and business development teams across the company.

In more detail, you will focus deeply on:

• Designing and pioneering innovative quantum algorithms tailored for fault-tolerant quantum computers for applications related to computational chemistry.
• Radically improving algorithm efficiency by reducing qubit counts, gate complexity, and overall resource requirements
• Identifying high-value applications targeted at our chemistry-related focus industries .
• Demonstrating the feasibility and scalability of new algorithms and applications through rigorous resource estimation and comparison to state-of-the-art classical methods.
• Collaborating with PennyLane software developers to create state-of-the-art tools for quantum algorithms research.

Regardless of your specific focus areas, you will consistently:

• Author high-quality scientific papers, technical reports, and comprehensive documentation.
• Generate valuable intellectual property and actively support the filing of related patents.
• Present your research findings to strategic partners and at premier conferences and events.

Basic qualifications and experience

• PhD in Chemistry, Physics, or a related quantitative discipline — or equivalent practical experience.
• Strong track record of research accomplishments in computational chemistry and quantum computing, evidenced by publications, patents, or technical work.
• Deep knowledge of quantum chemistry methods for ground and excited states, such as DFT, CASSCF/CASCI, MRCI, DMRG, Coupled Cluster, QMC, etc.
• Knowledge of fundamental concepts in quantum algorithms, such as Hamiltonian simulation, Trotter product formulas, quantum signal processing, linear combination of unitaries, amplitude amplification, quantum phase estimation, and quantum read-only memories.
• Expertise in application areas related to quantum chemistry, materials science, pharmaceuticals, etc.
• Capacity to thrive in an interdisciplinary team environment and drive independent research when required.
• Excellent communication skills, with a proven ability to convey complex technical ideas to specialist and non-specialist audiences.
• Strong self-management skills to balance individual project priorities, deadlines, and deliverables in a fast-paced environment.

Preferred qualifications and experience

• Experience in using and/or developing quantum chemistry software including but not limited to PySCF, Gaussian, Q-Chem, ORCA, Psi4, NWChem, MOLCAS, GAMESS, etc.
• Experience collaborating with industry or government partners.
• Strong software development and scientific programming skills in Python and HPC expertise.

Our values are everything. They are fundamental and lay the foundation for culture at Xanadu.

Our values are important. They are fundamental and lay the foundation for culture at Xanadu. Learn more about our values here .

We are an equal opportunity employer and encourage candidates of all backgrounds to apply. We are committed to building an inclusive, safe, and equitable culture and fostering an environment where our employees feel included, valued, and heard. We are committed to meeting the needs of all individuals and support a barrier-free workplace. Should you require accommodations at any point during the recruitment process please contact Recruiting at [e-mail] .

Please be advised that we may use artificial intelligence (AI) tools to assist in the screening and assessment of applicants for this position. These tools assist our recruitment team but do not replace human judgment. Final hiring decisions are ultimately made by humans. If you would like more information about how your data is processed, please contact us.