This job offer was closed at 2025-10-31
Postdoctoral Researcher in Atomistic Modelling for Energy Storage and Conversion Materials
Job Summary
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.
Job Description & Benefits
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 include 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 restings 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:
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.
Full access to cutting-edge laboratory facilities and characterization platforms.
The incorporation to 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 the administrative procedures, help with schools for children…).
For more information: https://cicenergigune.com/en/work-with-us
TO APPLY:
All applicants are invited to submit their application a detailed curriculum vitae along with a motivation letter at this website: https://cicenergigune.com/en/employment-opportunities/111296823
The selection process ends once the candidate is selected.
CIC energiGUNE is committed to affirmative action, equal opportunity, and the diversity of its workforce.
Job Details
Organization Contact
Application Details
Additional Requirements
Skills
Specific 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.
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.
