PhD: Computational rational design of electrocatalysts for sustainable nitrogen conversion and [...]

Organisation/Company CIC energiGUNE Research Field Chemistry Researcher Profile Recognised Researcher (R2) First Stage Researcher (R1) Country Spain Application Deadline 2 Mar 2026 - 23:59 (UTC) Type of Contract Temporary Job Status Full-time Hours Per Week 40 Offer Starting Date 28 Feb 2026 Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No

Offer Description

Responsibilities

• Modelling catalyst resting states and reaction mechanisms under experimentally relevant conditions, providing atomistic insights into the factors governing key electrocatalytic processes.
• Developing high-throughput computational screening workflows to identify and evaluate novel materials with enhanced catalytic performance.
• Designing and applying machine learning models to accelerate the discovery of promising electrocatalysts and guide expe...