Quantum Scientist - Chemistry

Xanadu; United States; Remote; USD 180,000 - 230,000; Full time

Job summary

Xanadu in the United States seeks a quantum scientist to join a technical team focused on fault-tolerant quantum computers and real-world impact. You will advance quantum algorithms and optimize performance for chemistry-related applications, with emphasis on resource estimation and cross-disciplinary collaboration.

You will publish high-quality research, present at conferences, and help develop tools with PennyLane, collaborating with industry, government, and academia.

Qualifications

• 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.
• Deep knowledge of quantum chemistry methods for ground and excited states (e.g. DFT, CASSCF/CASCI, MRCI, DMRG, Coupled Cluster, QMC).
• Knowledge of fundamental concepts in quantum algorithms (Hamiltonian simulation, Trotter formulas, quantum signal processing, LCU, amplitude amplification, QPE).
• Experience with quantum chemistry software (PySCF, Gaussian, Q-Chem, ORCA, Psi4, NWChem, MOLCAS, GAMESS).
• Capacity to thrive in an interdisciplinary team and communicate complex ideas to diverse audiences.

Responsibilities

• Design and pioneer innovative quantum algorithms for fault-tolerant quantum computers in chemical applications.
• Improve algorithm efficiency by reducing qubit counts and gate complexity.
• Identify high-value chemistry-related applications across industries.
• Demonstrate feasibility and scalability of new algorithms with rigorous resource estimation.
• Collaborate with PennyLane developers to create state-of-the-art tools for research.

Skills

Quantum computing

Computational chemistry

Publications

Technical writing

Communication

Education

PhD in Chemistry or Physics

Tools

PySCF

Gaussian

Q-Chem

ORCA

Psi4

NWChem

MOLCAS

GAMESS

Job description

About Xanadu: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 performing constant‑factor resource estimation for fault‑tolerant quantum algorithms.
• 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 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.