CIC energiGUNE is a research center specialized in energy, electrochemical storage (batteries and supercapacitors), thermal energy solutions, and hydrogen, a member of the Basque Research and Technology Alliance - BRTA, and a strategic initiative of the Basque Government.
CIC energiGUNE was created in 2011 to generate excellent knowledge that is useful for the Basque business network, being a reference in knowledge transfer.
CIC energiGUNE has a dynamic research team of more than 100 researchers and is extremely well equipped with a wide range of up-to-date facilities that are fully available for all its researchers.
The European Commission has recently awarded CIC energiGUNE with the 'HR Excellence in Research', reflecting its commitment to achieving fair and transparent recruitment and appraisal procedures and certifying the existence of a stimulating and favorable work environment for researchers in the institution.
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). WHAT WE OFFER: A 3-year contract with advantageous professional development opportunities and the possibility of renewal based on 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. Professional and personal development opportunities, including seminars, international conferences, training courses, etc. An 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). All applicants are invited to submit their application, including a detailed curriculum vitae and a motivation letter 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. 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. Ability to work effectively as part of a team and actively support other group members while collaborating with project partners. Excellent oral and written communication skills in English. The following skills will be highly valued: Proficiency in plane wave DFT codes like VASP and Quantum Espresso. Programming experience in Python.
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