Master Thesis – Data-Efficient Exploration

About the role

Sandvik's Materials Modelling team develops next-generation cutting tool materials through modelling, simulation, data analytics and AI, working from atomic scale to industrial processes. It is looking for a master's student to carry out a thesis on data-efficient exploration of compositions and mechanical properties using first-principles calculations and active learning. The project is based in Västberga, Stockholm, corresponds to 30 ECTS credits and is expected to run full-time over about 20 weeks, starting in January 2027.

Key responsibilities

• Develop active-learning strategies that identify a limited but sufficient set of informative compositions for additional autoQMAS calculations, reducing prediction uncertainty.
• Incorporate the newly generated data iteratively into a database to update and improve predictive models.
• Achieve a predefined confidence level across the compositional region of interest while minimizing the number of additional calculations.
• Identify compositions with the best trade-off between hardness and toughness.
• Follow the project plan: literature review and project definition (weeks 1-2), baseline model and uncertainty assessment (weeks 3-4), active-learning method development (weeks 5-12), final analysis and documentation (weeks 13-15), and thesis writing and presentation preparation (weeks 16-20).

Required profile

• Master's student with a strong foundation in physics, materials science, applied mathematics or computational engineering.
• Curiosity, initiative and interest in combining physics-based modelling with AI-driven approaches for accelerated materials design.

Required skills

• Experience with Python programming, scientific computing, data analysis and machine learning.
• Knowledge of atomistic simulations, autoQMAS calculations, density functional theory (DFT) or computational materials science is meritorious.

Applications must be submitted by 1 December 2026 with a CV and cover letter through the online application form; applications by email are not accepted.