The PhD Programme in Theoretical Chemistry and Computational Modelling (TCCM) trains researchers to develop and apply theoretical and computational methods to scientific questions in chemistry, physics, materials science, nanoscience and biochemistry.
The programme is interuniversity, coordinated by the Universidad Autónoma de Madrid (UAM) and involving research groups from 13 Spanish universities, including EHU. Doctoral candidates at EHU can pursue their research in the Kimika Teorikoa (KT) group, subject to admission and the availability of suitable supervision and projects.
Programme at a glance
| Qualification | PhD in Theoretical Chemistry and Computational Modelling |
| Type | Interuniversity doctoral programme |
| Coordinating university | Universidad Autónoma de Madrid (UAM) |
| EHU full-time duration | 4–5 years, as indicated in the current EHU programme information |
| Location for KT research | Faculty of Chemistry, EHU, Donostia–San Sebastián |
The EHU programme page also provides the current indicative annual fees and official contact details. Admission conditions, enrolment deadlines and regulations should always be checked directly with EHU.
Research areas
The doctoral programme covers a broad range of theoretical and computational chemistry topics. The research lines listed by EHU include:
- Computational biochemistry.
- Development of simulation methods in chemistry.
- Excited states and photochemistry.
- Molecular structure and chemical reactivity.
- New materials.
- Laser-induced processes.
- Computational organometallic chemistry.
- Solids and surfaces.
Doctoral research may involve developing computational methodologies or applying existing methods to investigate complex chemical and physical phenomena.
Pursuing a PhD with Kimika Teorikoa
The KT group at EHU offers a research environment for projects in theoretical and computational chemistry. The group’s research interests include electronic structure and chemical bonding, aromaticity, metal clusters, surfaces and computational catalysis.
Depending on the project, doctoral researchers may use quantum-chemical calculations, density functional theory and computational modelling to understand molecular and materials properties and chemical reactivity.
Students interested in carrying out their thesis with KT are encouraged to contact the group to discuss their research interests, potential supervisors, available projects and possible funding opportunities. Admission to the doctoral programme and funding are separate processes; neither is guaranteed by an initial discussion with the group.
Training and career opportunities
The programme combines original doctoral research with the development of scientific skills, including literature analysis, communication of research results and participation in the wider theoretical chemistry community. Its interuniversity structure connects researchers working across a variety of specialisms.
Graduates may pursue postdoctoral research and academic careers or apply their computational expertise in sectors such as pharmaceuticals, chemicals, materials and scientific software.
Admission and further information
For eligibility, application procedures, deadlines, fees and doctoral regulations, please consult the official EHU information. The national programme website provides an overview of the participating universities and the broader TCCM doctoral network.
- EHU — PhD in Theoretical Chemistry and Computational Modelling
- TCCM — National doctoral programme website
Official EHU contacts
- Academic enquiries: xabier.lopez@ehu.eus
- Administrative enquiries: quimicateoricacomputacional.doke@ehu.eus
Programme details and admission conditions may change. Please refer to the official EHU and TCCM websites for the latest information.