About this position
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).
For more information, see the call for applications posted on the UB's electronic bulletin board: https://seu.ub.edu/ofertaPublicaCategoriaPublic/listPublicacionsAmbCategoria?categoria.id=968252
Requirements
Research Field
Chemistry
Education Level
Master Degree or equivalent
Skills/Qualifications
Hold a BSc/MSc in Chemistry, Physics or Nanoscience and fulfil the requirements to be admitted into Química Teòrica i Modelització Computacional PhD program at the Universitat de Barcelona.
https://www.ub.edu/escoladoctorat/en/access-and-admission/access-pathwa… ;
Specific Requirements
Experience in global 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
How to apply
- Read the full advert on the source site — it carries the authoritative terms.
- Prepare your SOP, CV, transcripts and referees before the deadline.
- Apply through the university's own portal. Never pay a fee to a third party.