Principal Scientist, Computational Chemistry, Materials Modeling

Qutwo

. Set the technical direction for QuTwo's materials modeling and computational chemistry offering, from electronic-structure methods to molecular dynamics and machine-learned interatomic potentials .

Posted 10/14/2026full-timeHelsinki • FinlandLeadWebsite

Core Competencies

Role fit

Core Competencies

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Demonstrates expertise in computational chemistry and materials science, with a strong focus on machine learning applications and quantum computing methodologies. Proven ability to lead customer projects, translate complex scientific problems into actionable plans, and support business development efforts.

Highest-signal resume keywords

PhD In Computational ChemistryMachine Learning For Materials DiscoveryQuantum Computing ExperienceProject Leadership In R&DPublications In Scientific Journals

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Applicant Tracking System Keywords

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Hard Skills

Computational MethodsMolecular DynamicsElectronic-Structure MethodsHybrid Quantum-Classical WorkflowsActive-Learning LoopsSurrogate ModelsGenerative ModelsBenchmarking TechniquesScientific Problem ScopingWorkflow Integration

Soft Skills

Customer Confidence-BuildingComfort With AmbiguityCommunication SkillsTeam GuidanceResults Discussion

Tools & Technologies

Qutwo OSProduction ValidationWorkflow Integration Tools

Industry Keywords

Materials ScienceCondensed-Matter PhysicsPharmaceutical R&DChemical R&DEnergy R&D

About the role

Key responsibilities & impact

Set the technical direction for QuTwo's materials modeling and computational chemistry offering, from electronic-structure methods to molecular dynamics and machine-learned interatomic potentials
Drive ML, surrogate and generative models for materials and molecular discovery, and active-learning loops
Define and benchmark hybrid quantum–classical workflows with quantum computing experts
Lead flagship customer projects end to end, including scoping scientific questions, choosing methods, guiding teams, and standing behind results
Serve as senior technical counterpart for customer R&D teams in scoping workshops, method reviews, and results discussions
Translate customer problems into structured workplans
Support business development through pre-sales conversations, proposal scoping, and customer confidence-building
Support deployment through production validation, workflow integration, and handover
Interact with Qutwo OS product, business development, and forward-deployed engineering teams

Requirements

What you’ll need

A PhD in computational chemistry, materials science, condensed-matter physics, or a related field
Minimum of 7 years of experience applying computational methods to real materials or chemistry problems, in industry, national labs, or an industry-facing academic role
Track record demonstrated through publications, methods contributions, or recognized industrial results
Credibility recognized by customers and peers through publications, delivered results, or both
Comfort with ambiguity and commercial reality
Experience in quantum computing, pharma, chemicals, or energy R&D is a plus but not a requirement
Finnish or another European language alongside fluent English is a plus but not a requirement

Benefits

Comp & perks

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, with scientific judgment shaping the offering, roadmap, and standards
A senior seat in a well-funded, fast-growing company where scientific judgment shapes the product roadmap and commercial strategy