.JOB DESCRIPTION: CIC energiGUNE is looking for a Postdoctoral Researcher to join the Atomistic & Molecular Modelling for Catalysis Group. The group offers a dynamic, multidisciplinary environment focused on modelling catalytic reactions and developing workflows and AI models for accelerated catalyst design. The candidate will actively contribute to the computational modelling and design of materials for energy conversion and storage, including green hydrogen production and the sustainable synthesis of fuels and chemical feedstocks. Responsibilities: Presenting research in group meetings and participating in project meetings and scientific conferences. Modelling the resting states of novel catalytic materials under relevant experimental conditions. Conducting mechanistic studies to determine the thermodynamics and kinetics of key reaction pathways, including deactivation processes. Screening and fine-tuning catalysts to enhance performance. Developing workflows and machine learning algorithms to accelerate catalyst design (optional). Group: Atomistic & Molecular Modelling for Catalysis Group WHAT WE OFFER: A 3-year contract with advantageous professional development opportunities and the possibility of renewal based upon satisfactory job performance, continuing availability of funds, and ongoing operational needs. Flexible working hours promoting work-life balance and self-organization. On-site work model with the option to telework. Full access to cutting-edge laboratory facilities and characterization platforms. Incorporation into a top research center in Europe that makes high-quality research and impactful contributions to the energy and sustainability fields. Professional and personal development: opportunity to attend seminars, international conferences, training courses, etc. Integrated, enthusiastic, international, and multidisciplinary environment. A welcome program that offers help with finding accommodation and addresses other aspects to help you integrate into the local environment (such as free language courses, assistance with administrative procedures, help with schools for children…). TO APPLY: All applicants are invited to submit their application, including a detailed curriculum vitae along with a motivation letter. The selection process ends once the candidate is selected. CIC energiGUNE is committed to affirmative action, equal opportunity, and the diversity of its workforce. DESCRIPTION OF THE INSTITUTION: WHO ARE WE? WHERE ARE WE? OUR FACILITIES For more details on CIC energiGUNE's research activities please visit our website at cicenergigune.Com. MINIMUM REQUIREMENTS: PhD in Chemistry, Physics, Computational Chemistry, Nanoscience, Chemical Engineering, or a related field. Strong background in modelling (electro)catalytic processes using periodic density functional theory (DFT) is essential. Proficiency in programming skills