PhD Scholarship in Computational Chemistry: A fully funded PhD position is available in the field of Computational Chemistry at Rovira i Virgili University (URV), Tarragona, Spain, starting February/March 2026. This research project will focus on computational modeling of sustainable catalytic processes, emphasizing photo- and electrocatalytic carbon dioxide reduction and oxidation reactions for energy conversion and sustainability. The candidate will work with quantum mechanical calculations, atomistic molecular dynamics simulations, and statistical analyses, collaborating closely with international experimental partners.
Summary Table
| Position | PhD Student in Computational Chemistry |
|---|---|
| Research Area | Computational Modeling of Sustainable Catalytic Processes |
| Location | Rovira i Virgili University (URV), Tarragona, Spain |
| Duration | 4 years |
| Starting Date | February/March 2026 |
| Eligibility | Master’s Degree in Physical/Computational Chemistry, Physics, Chemical Engineering, or related fields |
| Experience | Experience with computational chemistry software and programming (Gaussian, Gromacs, CP2K, Python, C++) |
| Application Deadline | October 27 – November 17, 2025 |
Designation:
PhD Student in Computational Chemistry
Research Area:
Computational study of catalytic processes, focusing on energy conversion and sustainability. The candidate will conduct research on photo- and electrocatalytic carbon dioxide reduction and oxidation reactions.
Location:
Rovira i Virgili University (URV), Tarragona, Catalonia, Spain. Tarragona is a picturesque city with stunning coastal views and rich historical heritage, just an hour away from Barcelona.
Eligibility/Qualification:
- Master’s Degree in Physical/Computational Chemistry, Physics, Chemical Engineering, or related fields.
- Strong foundation in computational chemistry and physical chemistry.
- Proficiency in computational chemistry software (Gaussian, Gromacs, CP2K).
- Programming skills (Python, C++, etc.) are highly desired.
- Strong written and spoken communication skills in English.
Job Description:
The successful candidate will focus on:
- Quantum mechanical calculations and atomistic molecular dynamics simulations to understand catalytic processes.
- Statistical analysis of simulation results.
- Collaborating with international experimental partners to refine mechanistic insights.
- Participating in multidisciplinary research and training activities.
How to Apply:
Interested candidates should submit:
- A CV
- A short cover letter expressing their interest in the position
- Applications should be sent to albert.soled@urv.cat
For official applications, visit the URV program website: URV Program Link
Last Date to Apply:
October 27 – November 17, 2025.
This position offers an exciting opportunity to work at the forefront of computational chemistry in a beautiful, dynamic city. Ideal for individuals passionate about sustainable energy and catalysis!
