Startseite Jobs / Karriere am KIT
together unique

Theoretical Chemist (f/m/d) with completed doctorate

Organizational unit

Institute of Nanotechnology (INT)

Job description

A decisive strength and a unique selling point of Theoretical Chemistry in Karlsruhe is the development of cutting-edge methods and their implementation in high-performance quantum chemistry program packages. This competitive edge is to be maintained, respectively extended in the context of continuous further development and implementation of innovative and excellent methods in Theoretical Chemistry.

You will design, develop, implement, and apply highly innovative, excellent cutting-edge computational methods and computer programs for ab initio calculations of molecular properties. In particular, the focus lies on ab initio methods for modeling molecular optical properties and photochemical processes, with special emphasis on significantly improving the spectroscopic accuracy and precision of theoretical predictions to ultimately enable the inverse design of novel chromophores and materials for applications in optics and photonics. An close cooperation with experimentally working groups is essential. Furthermore, high-performance software such as the TURBOMOLE program package shall be continuously adapted and implemented to the modern novel computer architecture; in addition, you will design and implement individual tailor-made hardware solutions to ensure an optimal interaction of software and hardware. In addition, you will produce publications in internationally respected journals, apply for third-party funding projects, work independently in teaching, and mentor junior scientists.

Starting date


Personal qualification

You have a university degree (Diplom (Uni) /Master) in theoretical chemistry with a completed PhD and habilitation or comparable academic achievement. Excellent knowledge of modern electron structure methods in theoretical chemistry, experience with highly accurate ab initio calculations of molecular structures as well as spectroscopic and thermochemical data are required. You have already gained years of experience in the development of cutting-edge computational methods and in the further development of quantum chemistry program packages using established software packages such as TURBOMOLE, especially for post-Hartree-Fock computational methods. In addition, you are experienced in programming with Fortran under UNIX/Linux including parallelization and have demonstrated years of experience in quantum chemical applications of these methods through close collaboration with experimentally working groups (evidenced by joint publications). Sound knowledge in the support of computational cluster infrastructure completes your profile. Proven successful acquisition of external funding is desirable.


Salary category 14, depending on the fulfillment of professional and personal requirements.

Contract duration


Application up to


Contact person in line-management

For further information, please contact Prof. Dr. Klopper, phone 0721 608-47263.

Please apply online using the button below for this vacancy number 116/2021.

Ausschreibungsnummer: 116/2021

We prefer to balance the number of employees (f/m/d). Therefore we kindly ask female applicants to apply for this job.
Recognized severely disabled persons will be preferred if they are equally qualified.


Personnel Support is provided by:
Ms Winkels
Phone: +49 721 608-25011,

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