together unique

physicist or chemist PhD (f/m/d)

Organizational unit

Institute for Nuclear Waste Disposal (INE)

Job description

You will be responsible for electronic structure computations of actinide materials (molecules and solids). These computations include atomic structure optimization, as well as excited state, spectroscopy calculations. Computational methods of interest are - besides Hartree-Fock and DFT - methods that include explicit electron-electron correlations such as configuration interaction or dynamical mean-field theory. In particular, computations of high energy resolution X-ray emission, resonant inelastic X-ray scattering and X-ray absorption spectra of actinides using among others the Quanty code will be carried out.

You will perform data analyses and compose scientific publications as well as present and discuss your results at scientific meetings.

You will closely work with an experimental X-ray spectroscopy team and co-supervise internship, bachelor, master and PhD students (f/m/d).

You will be a member of the high resolution X-ray spectroscopy group with head Tonya Vitova and the position will be funded by the European Research Council (ERC) - Consolidator grant “THE ACTINIDE BOND”. The computational work will be performed in close collaboration with the group of Prof. Maurits Haverkort, Heidelberg University. The permanent working place will be at Heidelberg University.

Starting date

ab sofort

Personal qualification

You have a PhD in physics, chemistry or another related natural science (diploma (university)/ master). You have already gained extended experience in quantum chemical computations. Experience with computations of actinide materials and X-ray spectroscopic data is beneficial. Experience in close collaborations with experimentalists and supervision of students on all levels is an advantage.


Salary category 13, depending on the fulfillment of professional and personal requirements.

Contract duration

3 years.

Application up to


Contact person in line-management

For further information, please contact Dr. Tonya Vitova, phone 0721 608-24024.

Please apply online using the button below for this vacancy number 451/2021.

Ausschreibungsnummer: 451/2021

Recognized severely disabled persons will be preferred if they are equally qualified.


Personnel Support is provided by:
Personalservice (PSE) - Human Resources
Ms Ratzel
Phone: +49 721 608-25544,

Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany