Research Scientist: AI for Quantum Chemistry

Are you ready to push the boundaries of what’s possible in quantum computing? Quantinuum is seeking 2 Research Scientists to delve into the applications of quantum computing for simulating molecules and materials at an ab initio level, crucially using modern machine learning and AI techniques to leverage the best of both of these groundbreaking technologies. This is your chance to work at the intersection of cutting-edge technology and real-world industrial challenges, where your research can lead to new discoveries in drug research, catalyst design, advanced materials, and beyond. You will work in a new and rapidly growing AI team, in collaboration with Quantinuum’s quantum chemistry team. You will also get to use Quantinuum’s state-of-the-art quantum hardware.

In this role you will construct the AI models as part of a larger pipeline for solving our problems of interest. The role of AI/ML models includes initial identification of potential solutions, which then feed into the quantum algorithms part of the pipeline, and classical post-processing of the quantum-enabled solutions. As many of these projects are developed in collaboration with industrial partners, you will also assist in communications with them. You'll be supported by our team of AI research scientists and engineers and will also benefit from collaborations with teams dedicated to other aspects of quantum computing like quantum compilation, error correction and mitigation.

Key Responsibilities:

• Developing and delivering projects related to the modelling of molecules and materials of industrial interest by applying AI techniques and quantum algorithms developed at Quantinuum, assessing their performance and investigating improvements.
• Collaborating with research scientists and engineers in the AI and Chemistry teams to implement new algorithms and software solutions.
• Providing scientific support in communications with customers.
• Keeping up to date with the literature of the field.
• Producing analysis and reports.
• Attending conferences and meetings with scientific customers and collaborators.

Key Requirements:

• Master’s Degree or Ph.D in Physics, Computer Science, Chemistry, Applied Mathematics, or related engineering field or equivalent experience.
• Experience in applied AI for scientific problems.
• Expertise in theoretical, computational or mathematical physics, chemistry, materials science or applied mathematics.
• Familiarity with quantum computing.

Desirable Skills:

• Familiarity with quantum computing concepts, or a related field such as quantum many-body physics.
• Experience in large-scale machine learning (large language models, reinforcement learning).
• Experience leveraging high-performance computing (e.g. distributed multi-node, multi-GPU platforms).

What is in it for you?

Working alongside a highly talented team, with leading names in the quantum computing industry. We offer a highly competitive package, equity, 28 days of paid holiday (in addition to public holidays), a workplace pension, a positive approach to flexible working and enhanced parental and adoption benefits.

About Us:

Science Led, Enterprise Driven – Accelerating Quantum Computing.

Quantinuum is the world’s largest integrated quantum company, pioneering powerful quantum computers and advanced software solutions. Quantinuum’s technology drives breakthroughs in materials discovery, cybersecurity, and next-gen quantum AI. With approximately 500 employees, including 370+ scientists and engineers, Quantinuum leads the quantum computing revolution across continents.

We unite best-in-class software with high-fidelity hardware to accelerate quantum computing. With integrated full-stack technology, our world-class team is rapidly scaling quantum computing. We’re hiring the world’s best talent to make it happen. Join us!

Quantinuum recently secured $300m in funding, visit our news pages to learn more about this and other Quantinuum scientific breakthroughs and achievements.

Please note that employment with us is subject to successfully passing our pre-employment screening checks. We are an inclusive equal opportunity employer.

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