Principal Scientist, Computational Chemistry/ Materials Modeling

Qutwo is a European AI lab for the quantum era. We build the hybrid quantum–classical platform that lets enterprises solve their hardest computational problems today — and be ready for quantum advantage the moment it arrives. Backed by a €25M round closed in 2026, we are growing a team of scientists and engineers who want their work to matter at the frontier of computing. We are hiring a Principal Scientist, Computational Chemistry/ Materials Modeling, who could lead our materials modeling and computational chemistry work. You have a strong background in computational chemistry, material modeling, using AI and potentially quantum computing. You lead the most demanding development work, engage with our customers, interact with the Qutwo OS product team and design case specific solutions using classical simulation and machine learning. Experience in quantum computing is a bonus. As part of our Deployment Team you interact internally with different internal and external stakeholders including e.g. the Qutwo OS product team, business development team, as well as different forward-deployed engineering teams. In addition, you feel confident in front of the customer. What you'll do Lead the science - Set the technical direction for Qutwo's material modeling and computational chemistry offering, from electronic-structure methods (DFT and beyond) to molecular dynamics and machine-learned interatomic potentials. - Drive the AI side of the stack: ML, surrogate and generative models for materials and molecular discovery, and active-learning loops that make expensive simulations go further. - Together with quantum computing experts, you define where hybrid quantum–classical workflows add real value in chemistry and materials — and build the benchmarks that prove it honestly. - Lead flagship customer projects end to end: scope the scientific question, choose the methods, guide the team, and stand behind the results. Work with customers - Be the senior technical counterpart for customer R&D teams — in scoping workshops, method reviews, and results discussions. - Translate each customer's problem into a well-structured workplan. - Support business development: bring domain authority into pre-sales conversations, help scope and shape proposals, and give customers confidence that the science holds up. - Support deployment: see solutions through to production in the customer's environment — validated, integrated into their workflows, and handed over so they keep delivering value after the project ends. What we're looking for - A PhD in computational chemistry, materials science, condensed-matter physics, or a related field — and the track record to go with it (publications, methods contributions, or industrial results that people in the field recognize). - 7+ years of experience applying computational methods to real materials or chemistry problems, in industry, national labs, or an industry-facing academic role. - Credibility that carries into the room: customers and peers recognize you as an authority, through your publications, your delivered results, or both. - Comfort with ambiguity and commercial reality — you will help decide what we sell, not just how we compute it. Nice to have: experience in pharma/chemicals/energy R&D, and Finnish or another European language alongside fluent English. What we offer - Real problems from real customers and the compute, tooling, and team to attack them. - The lead role in defining how Qutwo does materials and chemistry: your scientific judgment shapes the offering, the roadmap, and the standards. - A senior seat in a well-funded, fast-growing company where scientific judgment shapes the product roadmap and the commercial strategy. Practicalities and how to apply Full-time, permanent position. Preferred location Helsinki, Finland - but Stockholm, Sweden, and Germany possible. To apply, send us your CV together with something that shows how you think: a preprint, a technical talk, or a short note on where you believe quantum computing will first earn its keep in materials or chemistry and why. We review applications on a rolling basis and would rather meet you early than read a perfect application late. Questions before applying are welcome. Qutwo is an equal opportunity employer. We value diverse backgrounds and perspectives, and we encourage you to apply even if you don't tick every box above.