PhD Scholarship in Computational Chemistry, Rovira i Virgili University (URV), Spain

Postdoc in Spain

PhD Scholarship in Computational Chemistry: Rovira i Virgili University (URV) in Tarragona, Spain, invites applications for a PhD position in Computational Chemistry. The successful candidate will focus on the computational modeling of sustainable catalytic processes, specifically photo- and electrocatalytic carbon dioxide reduction and oxidation reactions. This project offers an opportunity to gain detailed mechanistic insights into these systems and develop principles for next-generation catalysts.


Summary Table:

DesignationPhD Student in Computational Chemistry
Research AreaComputational Modeling of Sustainable Catalytic Processes
LocationRovira i Virgili University, Tarragona, Spain
Duration4 years
Starting DateFebruary/March 2026
Application DeadlineOfficial Applications: October 27 – November 17, 2025
Eligibility/QualificationMaster’s degree in related fields; Experience in computational chemistry software and programming
How to ApplySubmit CV and cover letter to albert.soled@urv.cat for informal expression of interest; official applications via the URV website
WebsiteURV Research Program

Designation:

PhD Student in Computational Chemistry


Research Area:

The PhD research will focus on computational modeling of sustainable catalytic processes, with an emphasis on:

  • Photo- and electrocatalytic carbon dioxide reduction
  • Oxidation reactions of industrial relevance

Location:

Rovira i Virgili University (URV), Tarragona, Spain, located near the Mediterranean coast, just an hour from Barcelona. Tarragona is a charming, medium-sized city with a rich history, beautiful coastal views, and well-preserved Roman ruins (UNESCO World Heritage Site).


Eligibility/Qualification:

  • A Master’s Degree in Physical/Computational Chemistry, Physics, Chemical Engineering, or related fields.
  • Experience in computational chemistry software (e.g., Gaussian, Gromacs, CP2K).
  • Programming skills in languages such as Python and C++ are highly desirable.
  • Good communication skills in English, both written and spoken, are mandatory.

Job Description:

The PhD project will involve the computational study of catalytic processes central to energy conversion and sustainability. The focus will be on:

  • Quantum mechanical calculations
  • Atomistic molecular dynamics simulations
  • In-house developed codes and statistical analyses

You will gain detailed mechanistic insights into catalytic processes and contribute to the development of more efficient catalysts. This project includes close collaboration with international experimental partners and participation in multidisciplinary research and training activities.


How to Apply:

  1. Informal Expression of Interest: Submit a CV and a short cover letter to albert.soled@urv.cat.
  2. Official Application: Apply through the URV website between October 27 – November 17, 2025.

For more details, visit the official URV research program page: URV PhD Program.


Last Date to Apply:

November 17, 2025

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