PhD Position in the Quantum Chemistry: The Quantum Chemistry Group (QCG) at the Universitat Rovira i Virgili (URV) is inviting applications for a 4-year PhD position funded by the Spanish Ministerio de Ciencia, Innovación y Universidades. This position is part of the project “Modeling Fundamental Properties and Applications of Molecular Metal Oxides, Carbon Nanostructures, and their Hybrids (MODMOCAN).” The research will focus on advanced computational modeling of catalytic reaction mechanisms, carbon nanostructures, and polyoxometalates.
PhD Position in the Quantum Chemistry Group at Universitat Rovira i Virgili (URV)
Summary Table
| Study Area | Quantum Chemistry, Computational Chemistry, Theoretical Chemistry |
|---|---|
| Scholarship Description | 4-year PhD position in Quantum Chemistry at URV, Tarragona, Spain |
| Eligibility | MSc in relevant fields, high English proficiency, admission to URV |
| Required Documents | Motivation letter, full CV, references from two senior scholars |
| How to Apply | Email application materials to Prof. Antonio Rodríguez-Fortea |
| Last Date | October 15, 2024 |
Study Area
Quantum Chemistry, Computational Chemistry, Theoretical Chemistry, Chemistry, Physics, and Material Sciences.
Scholarship Description
The PhD position is a 4-year contract (1+1+1+1 years) under the FPI program, associated with the project titled “Modeling Fundamental Properties and Applications of Molecular Metal Oxides, Carbon Nanostructures and their Hybrids (MODMOCAN, reference PID2023-149905NB-I00).” The project will be supervised by Prof. A. Rodríguez-Fortea and Prof. J. M. Poblet and includes opportunities to present research at international conferences and a 3-month stay abroad.
Research lines:
- Characterization of the structure, physico-chemical properties, and reactivity of new carbon materials, with a focus on lanthanide and actinide-based endohedral metallofullerenes.
- Modeling of electrocatalytically activated processes such as NRR, ORR, OER, and HER using molecular oxides, carbon nanostructures, or their hybrids.
Methodology:
The research will employ state-of-the-art computational methods, including Quantum methods, Classical Molecular Dynamics (MD), and Ab initio Molecular Dynamics (AIMD).
Eligibility
- Recent graduates with an MSc degree in Theoretical or Computational Chemistry or related fields such as Chemistry, Physics, or Material Sciences.
- High proficiency in English (oral and written).
- Strong communication skills and the ability to work independently and in a team.
- Practical experience in high-performance computing, Linux environments, and quantum chemistry codes (electronic structure calculations, molecular dynamics, solid state) is highly valued.
- Must be admitted or enrolled in the URV doctoral program “Ciència i Tecnologia Química” at the time of application.
Required Documents
- Motivation letter
- Full CV, including academic records
- Names and email addresses of two senior scholars who have worked with the candidate
How to Apply
Interested candidates should email their application materials to Prof. Antonio Rodríguez-Fortea at antonio.rodriguezf@urv.cat.
Last Date
Applications must be submitted online between September 25, 2024, and October 15, 2024.
Estimated Start Date: February 2025.
