Organisation/Company Universitat de Barcelona Department Organisation profile Research Field Chemistry Researcher Profile First Stage Researcher (R1) Positions PhD Positions Application Deadline 6 Oct 2026 - 23:59 (Europe/Madrid) Country Spain Type of Contract Temporary Job Status Full-time Hours Per Week 37,5 Offer Starting Date 1 Nov 2026 Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Reference Number PID2024-157971NB-C22 Is the Job related to staff position within a Research Infrastructure? No Offer Description
The importance of oxide nanoparticles spans from fundamental astronomy (e.G. nanosilicate dust particles) to applied catalysis (e.G. photoactive TiO2 and electroactive IrO2 nanoparticles). Across these fields understanding the detailed structure and chemistry of these nanospecies is paramount for determining their properties and how they interact with their environment. The project will aim to simulate a range of realistic oxide nanoparticles with sizes from a few 10s of atoms to several 1000s of atoms.
In each case,



machine learned interatomic potentials (MLIPs) will be developed to describe their structure and chemical interactions. Of particular interest will be to develop accurate MLIPs that can describe the finite temperature dynamics of the particles and their vibrational spectral response, to better correlate the project results with experimental/observational results (e.G. infrared spectra).
Experience in general optimization and machine learning interatomic potentials would be highly valued for this project.
Languages ENGLISH Level Good
Languages CATALAN Level Excellent
Languages SPANISH Level Excellent
Additional Information
A full-time work contract (37.5 hrs/week). The researcher will have the possibility to participate in teaching activities for professional development (not obligatory, though).
Eligibility criteria
A specific committee will evaluate the applications using the following criteria:
- G

📌 Phd Candidate In Modelling Realistic Oxide Nanoparticles Using Machine Learning Based Simulations (La Mancha)
🏢 Universitat De Barcelona
📍 La Mancha