Doctoral Researcher in Surface Structures: Aalto University is inviting applications for a fully-funded Doctoral Researcher position in Machine Learning for Surface Structures, aimed at developing data-driven methods for atomic structure predictions. This is an excellent opportunity for individuals interested in intersecting machine learning with materials science.
Doctoral Researcher in Machine Learning for Surface Structures
Designation
Doctoral Researcher (PhD student) in Machine Learning for Surface Structures
| Details | Information |
|---|---|
| Institution | Aalto University |
| Unit | School of Chemical Engineering |
| Contract Duration | 2 years (with the possibility of a 2-year extension) |
| Starting Salary | 3075 € / month (gross) |
| Workplace | Otaniemi Campus, Aalto University |
| Starting Date | Spring 2026 (exact date to be agreed upon) |
Research Area
Machine Learning, Surface Structures, Atomistic Simulations, Materials Science.
Location
Espoo, Greater Helsinki, Finland.
Eligibility/Qualification
- Master’s degree in Chemistry, Physics, Materials Science, Mathematics, Computer Science, or a related field.
- Basic programming experience, preferably with Python.
- Strong interest in atomistic simulations, machine learning, and scientific software development.
- Proficiency in English (written and spoken).
Description
The selected candidate will work with the Data-driven Atomistic Simulation (DAS) group under the supervision of Dr. Ondřej Krejčí. The project is funded by the Research Council of Finland and involves creating machine learning tools to predict atomic structures, impacting sectors such as semiconductor technology and green fuel production.
Key Responsibilities:
- Develop machine learning workflows for predicting atom rearrangement on material surfaces.
- Generate datasets from electronic structure theory calculations.
- Collaborate with international experts and share findings with experimental collaborators.
- Manage large-scale simulations using supercomputing facilities.
How to Apply
Interested candidates should submit their applications as a single PDF document, including:
- A letter of motivation (max 1 page).
- CV with a list of publications (max 2 pages).
- Contact details for at least two referees.
Applications must be submitted through the online recruitment system.
Last Date for Application
January 8, 2026.
For more information, please reach out to Dr. Ondřej Krejčí via email or check the detailed project description on the Aalto University website.







