Research Collaborator - Algorithms and Computational Simulations for Renewable Energies

We seek a highly motivated researcher with a PhD in theoretical/computational chemistry, physics, materials science, or a related field. Experience in electronic-structure theory, computational chemistry, scientific programming, or HPC is desirable. Background in quantum computing and quantum algorithms would be an advantage.

PhD in theoretical/computational chemistry, physics, materials science, or a related field, with experience in electronic-structure theory and molecular simulations. Strong skills in quantum chemistry and scientific programming are desirable, particularly experience with DFT, wave-function methods, reaction mechanisms, or HPC. Knowledge of quantum computing and quantum algorithms, as well as an interest in interdisciplinary research, would be an advantage.

Research Collaborator - Algorithms and computational simulations for renewable energies (Open)

Post-doctoral position

Position category: Research Collaborator

Reference: 2026/44

Duration: Temporary contract

Application deadline: 2026/09/23

We are currently accepting applications for the above mentioned position. This is a unique opportunity for junior researchers with a recent PhD degree in Physics or related fields to join one of DIPC's high-profile research teams.

The project aims to develop advanced computational approaches to understand and rationally design catalysts for the sustainable hydrogenation of CO₂. The research will focus on molecular-level simulations of catalytic active sites, using cluster models and quantum-chemical methods to characterize electronic structure, adsorption, reaction intermediates, transition states, and competing reaction pathways. DFT will be combined, where appropriate, with higher-level and multireference methods.

The project will also explore quantum computing and hybrid HPC-QPU workflows for molecular simulations, developing and benchmarking variational quantum algorithms for electronically challenging catalytic systems.

• Target start date: 2026/10/01

We provide a highly stimulating research environment, and unique professional career development opportunities.

• CV of the candidate (40%)
• Adequacy of the candidate's scientific background to the project (40%)
• Reference letters (10%)
• Other: Diversity in gender, race, nationality, etc. (10%)

Evaluation results will be communicated to the candidates soon after. Positions will only be filled if qualified candidates are found.

The DIPC may revoke its decision if the candidate fails to join by the appointed time, in which case the position will be awarded to the candidate with the next highest score, provided it is above 50 (out of 100).

However, the selected candidate may keep the position if, in the opinion of the Selection Committee, the candidate duly justifies the reasons why he or she cannot join before the specified deadline, and as long as the project allows it.

Last resolutions

• Outreach & Communication Sep 08, 2026

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