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 and at the same time 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' which reflects its commitment to achieving fair and transparent recruitment and appraisal procedures and certifies 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 contribute to the computational modelling and design of materials for green hydrogen production and the valorization of organic substrates as part of a EU project under the HORIZON-CL5-2024-D2-01-04 call.
This consortium includes renowned academic and industrial partners.
Responsibilities include close collaboration with experimental partners, presenting research in group meetings, and participating in project meetings and scientific conferences.
The successful candidate will contribute to the following research tasks:
Modelling the resting states of photo- and electrocatalysts under relevant experimental conditions.Conducting mechanistic studies for sustainable production of liquid organic hydrogen carriers (LOHCs) from biomass conversion.Screening and fine-tuning photo- and electrocatalysts to enhance performance.Group: Atomistic & Molecular Modelling for Catalysis Group
WHAT WE OFFER: We are offering a 3-year contract and advantageous professional development opportunities with 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.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…).All applicants are invited to submit their application, including a detailed curriculum vitae along with 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. 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.Experience with hydrogen storage materials is highly desirable.Skills 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.Experience with quantum chemistry software for molecular modelling (e.g., Gaussian, ORCA, Turbomole).
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