PhD Position in Quantum Chemistry: The Quantum Chemistry Group (QCG) at Universitat Rovira i Virgili (URV) is offering a fully funded 4-year PhD position. The research will focus on the characterization and modeling of new carbon materials and electrocatalytically activated processes using molecular oxides, carbon nanostructures, and their hybrids. This position is associated with the project “Modeling Fundamental Properties and Applications of Molecular Metal Oxides, Carbon Nanostructures, and their Hybrids (MODMOCAN)” under the leadership of Prof. A. Rodríguez-Fortea and Prof. J. M. Poblet.
PhD Scholarship Position in Quantum Chemistry Group at URV (Tarragona)
Designation
PhD Researcher (Formación de Personal Investigador, FPI)
Research Area
- Quantum Chemistry
- Theoretical and Computational Chemistry
- Electrocatalysis
- Carbon Nanostructures
- Molecular Metal Oxides
Location
Quantum Chemistry Group, Universitat Rovira i Virgili (URV), Tarragona, Spain
Eligibility/Qualification
- A recently graduated MSc degree in Theoretical or Computational Chemistry or related fields (Chemistry, Physics, or Material Sciences).
- High proficiency in English (both oral and written).
- Strong motivation for scientific research and good communication skills.
- Ability to work both independently and as part of a team.
- Practical experience with high-performance computing, Linux environments, and quantum chemistry codes (electronic structure calculations, molecular dynamics, solid state) is highly desirable.
- Admission or enrollment in the URV doctoral program “Ciència i Tecnologia Química” is mandatory at the time of application.
Job Description
The successful candidate will:
- Characterize the structure and physico-chemical properties, as well as the reactivity, of new carbon materials, particularly lanthanide and actinide-based endohedral metallofullerenes.
- Model electrocatalytically activated environmental-benign and high-value-added processes (e.g., NRR, ORR, OER, HER) using molecular oxides, carbon nanostructures, or their hybrids.
- Utilize state-of-the-art computational methods, including quantum methods, classical molecular dynamics (MD), and ab initio molecular dynamics (AIMD).
- Present research findings at international conferences and complete a 3-month research stay abroad during the PhD period.
How to Apply
Interested candidates should send the following documents to Prof. Rodriguez-Fortea (antonio.rodriguezf@urv.cat):
- A motivation letter
- A full CV (including academic records)
- The names and email addresses of two senior scholars who have previously supervised the candidate.
Last Date for Application
- Online applications are open from September 25th, 2024, to October 15th, 2024.
Conditions
- Contract length: 1+1+1+1 years
- Estimated start date: February 2025
