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

Overview

The candidate will join the Atomistic & Molecular Modelling for Catalysis Group at CIC energiGUNE. This dynamic, multidisciplinary team focuses on computational modelling of catalytic reactions and the development of high-throughput workflows and AI-driven approaches for accelerated catalyst discovery. The PhD researcher will contribute to the computational modelling and rational design of materials for sustainable nitrogen conversion and utilization, with a particular focus on NOx electroreduction, NH3 electrooxidation, and related processes.

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 experimental validation.
• Collaborating closely with experimental partners within CIC energiGUNE and beyond, ensuring effective integration of theoretical and experimental efforts.
• Presenting research findings in group meetings, project meetings, and at national and international scientific conferences.

Group : Atomistic & Molecular Modelling for Catalysis Reseach Group

What We Offer

Life-balance Benefits

For more information :

To Apply

All applicants are invited to submit their application a detailed curriculum vitae along with a motivation letter and the bachelor degree records at this website.

The selection process ends once the candidate is selected.

CIC energiGUNE is committed to affirmative action, equal opportunity, and the diversity of its workforce. Therefore, as part of our commitment to inclusion, we welcome applications regardless of gender identity, ethnicity, sexual orientation, disability and age.

Description Of The Institution

For more details on CIC energiGUNE's research activities please visit our website at

Requirements

We Will Highly Value

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