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Xanadu is building quantum computers designed to solve real-world problems across industries. As a Quantum Scientist in Chemistry, you will join a technical team focused on unlocking the practical impact of fault-tolerant quantum computers.
You will design and pioneer innovative quantum algorithms tailored for fault-tolerant quantum computers with applications in computational chemistry. Your work will involve radically improving algorithm efficiency by reducing qubit counts, gate complexity, and overall resource requirements. You will identify high-value applications in chemistry-related industries and demonstrate the feasibility and scalability of new algorithms through rigorous resource estimation and comparison to classical methods.
You will collaborate closely with PennyLane software developers, hardware teams, and business development across the company. Your research will be conducted alongside industry, government, and academic partners, requiring strong cross-functional collaboration.
Key responsibilities include:
- Designing and pioneering quantum algorithms for fault-tolerant quantum computers focused on computational chemistry applications
- Optimizing algorithm efficiency and resource requirements
- Identifying and targeting high-value applications in chemistry and related fields
- Performing rigorous resource estimation and benchmarking against classical methods
- Collaborating with software development teams to create research tools
- Authoring scientific papers, technical reports, and documentation
- Generating intellectual property and supporting patent filings
- Presenting research findings to strategic partners and at premier conferences
Requirements:
- 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 (DFT, CASSCF/CASCI, MRCI, DMRG, Coupled Cluster, QMC, etc.)
- Knowledge of fundamental quantum algorithm concepts including 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, or similar domains
- Ability to thrive in interdisciplinary team environments and drive independent research
- Excellent communication skills for conveying complex technical ideas to specialist and non-specialist audiences
- Strong self-management skills to balance priorities and deadlines in a fast-paced environment
Preferred qualifications:
- Experience performing constant-factor resource estimation for fault-tolerant quantum algorithms
- Experience using or developing quantum chemistry software (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
- HPC expertise
