Postdoctoral Researchers in AI-driven Atomistic Modeling and AI-Accelerated Cheminformatics Aalto University in Finland

Aalto University is advertising several postdoctoral researcher positions in AI-driven atomistic modeling and AI-accelerated cheminformatics within the Otaniemi Center for Atomic-scale Materials Modeling (OCAMM), hosted by the Department of Chemistry and Materials Science in the School of Chemical Engineering.

The project, Materials AI for accelerated industrial R&D, is funded by Business Finland and carried out with industry partners, the Finnish national supercomputing center CSC, and experimental collaborators. The research environment is strongly computational and interdisciplinary, combining computational chemistry, materials science, physics, computer science, and chemical engineering.

Research topics include machine-learning interatomic potentials, high-throughput atomistic workflows, atomistic modeling of materials structure, molecular diffusion and surface interactions, reactions and thin-film growth, data-driven cheminformatics for molecular modeling/design, and molecular dynamics simulations. Useful experience includes Python or other scripting, HPC, Fortran/C/C++/CUDA, and ML libraries such as sklearn or PyTorch.

Eligibility is aimed at candidates with a doctoral degree in computational chemistry, physics, materials science, or related engineering fields; applicants from computational biology, applied mathematics, or applied computer science may also be considered if their background fits the project. A strong publication record, HPC experience, and strong English communication skills are expected.

The positions are postdoctoral roles, not PhD or MSc openings. The expected salary is approximately 4148–4305 €/month, depending on experience, and the contract includes occupational health care benefits. Researchers will also have access to CSC supercomputing resources, including LUMI and future LUMI-AI upgrades.

Deadline: 9 August 2026. Applications are reviewed as they arrive, so early submission is encouraged.

How to apply: Submit the application through Aalto University’s online recruitment system via the Apply now link. Prepare a one-page motivation letter, full CV, publication list, and contact details for at least two referees, all in English and as PDF files.