Posts Tagged ‘theoretical chemistry’

A Consortium of 12 European Universities and 14 associated partners, including 9 private companies, under the coordination of the Universidad Autonoma of Madrid, offers 15 fully-funded 3-year PhD fellowships within the European Joint Doctorate Program in Theoretical Chemistry and Computational Modelling (EJD-TCCM), funded under the framework of the Innovative Training Networks of the Marie Sklodowska-Curie Action ITN-EJD-642294. TCCM. A detailed list of the projects and the institutions involved can be consulted on our website:


The research projects are focused on three fields:

  • Molecular materials: to design new materials with special properties that open new applications in nanoelectronics, nanomagnetism, gas-sensing, gas separation or catalysis.
  • Biomelecules at the frontier for new therapies: To extend the modelling techniques of biomolecules to new problems in the frontier of physics, chemistry and biology by treating the interaction with photons for the design of photostable drugs or new photosensitizers for cancer phototherapies or by treating the interaction with ions to design new methods for structural characterization, or the interaction with highly charged heavy ions for cancer treatments.
  • Energy: to design more efficient compounds for photovoltaic organic cells and to design new materials for energy storage.

 We offer

  • A 3-year European Joint Doctorate with cross-disciplinary thesis research in an stimulating, international scientific environment.
  • Working in top European Universities in at least two different countries
  • Supervision and mentorship by a team of internationally renowned experts.
  • Advanced training (scientific, transferable skills, career orientation) opportunities in English.
  • 2-10 months placement in private companies
  • An employment contract with full social security coverage

 How to Apply

Applications must be submitted online at our website .

The deadline is 15th April 2015.
PhD projects start in summer/autumn 2015.

Please address your questions to

Scholarship for a PhD in Theoretical Chemistry / Chemical Physics 

within the Center of Molecular and Materials Modelling (CM3) at Hasselt University, under supervision by Prof. Dr. Michael S. Deleuze (awards by the World Association of Theoretically Oriented Chemists and by the Royal Flemish Academy of Belgium for Sciences and Arts), and in collaboration with Prof. Dr. Jeng-Da Chai (awards from the World Academy of Sciences and the International Society for Theoretical Chemical Physics) at the National Taiwan University. The scholarship is available for a period of 4 years. It consists of a first appointment of 2 years, followed by a prolongation of 2 years unless negative evaluation of the first period. The scholarship is subject to social security. Important computer facilities and a supporting international research environment are available for the candidate (for more information on our research activities, visit the website:

The candidate will prepare a PhD thesis within the framework of a project entitled “Quantum chemical study of large polycyclic aromatic hydrocarbons and graphene nanoislands using Density Functional Theory with fractional orbital occupations“, with financial support by the University of Hasselt. This project focuses on conceptual developments, code implementation within the quantum chemical Q-Chem 4.0 package of programs, quantitative parametrizations, testings and applications of a new quantum chemical method for studying the electronic structure, spin states, as well as the electric properties of large polycyclic aromatic hydrocarbons, as molecular models of finite graphene nanoislands and extended graphene nanoribbons, taking care of multi-reference (static correlation) effects, of structural and topological defects, of spin-orbit coupling interactions, and of the increasing influence of the basis set with increasing system size.

Master (5 years) or equivalent diploma (bvb. DEA) in chemistry, physics, or materials sciences, or civil engineering in chemistry, physics, or materials sciences. Students who will complete their study this year can also apply.


  • Specific research interests and skills in theoretical and computational sciences.
  • Ability for team work and for solving computer problems.
  • Communication skills (both oral and written).
  • Fluency in English.
  • Strong research interests in general.
  • Skills in didactics.


Prof. Dr. Michael S. Deleuze, tel +, fax +,


You can only apply online via de web site of Hasselt University (; vacancy 145/35/021) and this by Monday 1st June 2015 at the latest.