Master’s thesis worker, Integrated Computational Materials Engineering

Are you all about science and technology? Would you like to work in a meaningful role with real responsibility and excellent learning opportunities? Do you want to work with superb colleagues who are experts in their field to drive a sustainable future and tackle the greatest challenges of our time? VTT might be just the place for you.   

VTT is one of the leading applied research organisations in Europe. What unites us are curiosity, a passion for learning and a purpose: to solve the biggest challenges of our time and turn them into sustainable growth and well-being. Our cross-disciplinary community of over 2100 brilliant minds is focused on creating impact through science-based innovation. Get to know us further by exploring VTT's tech & infra

We are now looking for a Master Thesis worker to join our Integrated Computational Materials Engineering team. Join us - and let’s make an impact together! 

Our team, ProperTune works on using multiscale modelling for optimal computational materials discovery and design, and replacing expensive, time-consuming testing. We have spent the last two decades to develop modelling tools across length and time scales together with our industrial partners and applied them to their critical components in mechanical machines and devices. With our modelling excellence, we aim to shorten the time-to-market of high-performance materials by an average of 50%. 

As a Master's Thesis worker, you will: 

In this position, your key goal is to develop and apply methods for high entropy carbide (HEC) design utilizing density functional theory (DFT) and machine learning (ML) methods. You will take part in developing material design tools and high-throughput workflows for HEC materials utilizing physics based and deep learning methods. Possible tasks include developing workflow for DFT analysis of material and interface properties as a function of elemental composition, performing and running the workflows on high-performance computing (HPC) environments, post processing the results, and developing the machine learning modeling capabilities - specifics depending on your personal interest and previous knowledge. Theoretical, simulation, and analytical approaches are required in your work. 

The practical tasks include: 

  • Literature study to assess the current state-of-the-art of the HEC development, mechanical properties of respective materials and how to apply ML in alloy design  
  • Set up the DFT simulation workflow for analyze how differing elemental chemistry influences the material and interface properties. 
  • Take part on developing and utilizing ML method for screening, down-selection and optimization of candidates in collaboration with experimental synthesis and characterization groups. 
  • Communication of your results both in oral presentations and in written reports. 

Who we are looking for: 

To succeed in this role, you should have a background in materials science and engineering, computational material science, computer science, applied mathematics, physics, or solid mechanics. The willingness to learn and combine skills in material production and reactor testing is seen as an asset. You are ready to focus fulltime on your Master’s Thesis. 

Additional requirements: 

  • Knowledge of other atomistic methods like discrete dislocation dynamics and molecular dynamics 
  • Knowledge of machine learning techniques and familiarity with modern related tools is a plus. 
  • Experience with numerical modelling and simulation is a plus. 
  • Familiarity with Unix-like operating systems 
  • Basic programming skills (e.g., Python, C/C++) 

With VTT, you’ll enjoy: 

  • Impactful work for the future. As a leading applied research organization, we are on a mission to bring exponential hope to the world by joining together people, businesses, science, and technology. We tackle the biggest challenges of our time – from climate change and resource sufficiency to industrial renewal and smart healthcare – and turn them into sustainable growth. Read more about our strategy, the path of exponential hope, and our organisational culture as the builder of the world's most meaningful place to work. 

  • Career opportunities, top-level mentors. At VTT, young professionals' skills are appreciated and supported with the opportunity to learn from the top experts in their field. You'll discover our community of over 2000 experts representing more than 40 nationalities working across cutting-edge areas of science and technology. 

  • Meaningful projects, real responsibility. At VTT, young talents can take on meaningful research projects or support researchers' work. We treat young talents as equals and give you real responsibility from the start. VTT is a caring employer that supports your growth and work-life balance and offers a range of well-being services. 

Apply now and join our community of brilliant minds! 

Please send your CV and application (with your transcript of records) via our recruitment system as soon as possible but at the latest by 22.5.2024. We will process applications as they come in and fill in the position as soon as we find the right candidate. 

Interested and want to know more? 

For further information, please contact Research Team Leader, Tom Andersson,  

We look forward to hearing from you!

Apply between and
Employment type: Full-time, Permanent


VTT is a visionary research, development and innovation partner. We drive sustainable growth and tackle the biggest global challenges of our time and turn them into growth opportunities. We go beyond the obvious to help the society and companies to grow through technological innovations. We have 80 years of experience of top-level research and science-based results. VTT is at the sweet spot where innovation and business come together.

VTT – beyond the obvious.

Location: Tekniikantie 21, Espoo

Please see our other open positions and read more about us from our career pages.


Master’s thesis worker, Integrated Computational Materials Engineering

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