Donostia International Physics Center (Donostia-San Sebastian, Spain) invites applications for a PhD position in the Chemical Physics group.

We use methods of many-body perturbation theory in the computational chemical physics to model molecules, clusters, solids and interfaces. Please, see our wiki page http://mbpt-domiprod.wikidot.com/ which partially reflects our developments. Primary occupation of successful candidate will be in studying deposited porphyrin molecules within GW/BSE framework, which is relevant for photovoltaic applications. Further collaboration with theoretical/experimental groups at DIPC and closely related Material Physics Center are possible and encouraged (Daniel Sanchez-Portal, Javier Aizpurua, Andres Arnau). The work will be also in a close collaboration with theoretical and experimental groups in France (Roland Hayn, Marseille). Successful candidate should be willing to accept some longer stays in Marseille (resulting potentially in an international PhD degree).

Photovoltaic machines built from organic materials are one of the possible routes towards a competitive sustainable electricity source for our society. Electronic excitations determine an underlying ability of a material to convert light into electricity. The electronic excitations of organic compounds will be characterized theoretically, by means of first principles calculations. To achieve a credible description of organic compounds, we will apply a combined GW/BSE framework. The framework includes so-called Hedin's GW approximation for a description of charged excitations, followed by a solution of the Bethe-Salpeter equation (BSE) to calculate optical excitations. Theoretical estimations of the density of states, ionization potential, electronic affinity and optical absorption spectra are going to provide a valuable information which is useful to screen principally inappropriate chemical designs prior to real synthesis.

Donostia is a lively city on Basque Atlantic coast with a vibrant scientific culture. Many scientific institutions are situated in Donostia and work in an open, international atmosphere.

We are looking for a motivated candidate with a solid background in condensed matter physics, interest in materials theory, good command of written and spoken English. A practical knowledge of electronic structure methods (DFT/Hartree-Fock) is indispensable. Knowledge of some modern programming languages such as Python, Fortran, C/C++ (in this order) is essential.

Initial appointment is for one year. Student should be willing to compete for a funding of subsequent years outside of Donostia International Physics Center. For application, please send CV and two referee's contacts to Peter Koval .

Deadline for applications is September, 15th. Starting date is negotiable. Female and minority candidates are encouraged to apply.