Post-doctoral scientist (m/f/d) | Structure and Dynamics from Quantum Mechanics

Updated: 3 months ago
Location: Hamburg, HAMBURG

Job Offer from February 12, 2024


The Max Planck Society is Germany's premier research organization. The 84 Max Planck Institutes conduct research at highest levels, in the service of the general public, in the natural sciences, life sciences, social sciences and the humanities.

The Max Planck Institute for the Structure and Dynamics of Matter (MPSD) investigates dynamical phenomena within matter, studying processes on the elementary time- and length-scales of atomic and electronic motions.

The independent Lise Meitner Group headed by Dr. Mariana Rossi is especially interested in weakly bonded systems and their interfaces with inorganic systems. We focus on studying temperature, anharmonic, and nuclear quantum effects from first-principles quantum mechanical simulations, such that reliable and accurate simulations that yield thermodynamic properties, structural stabilities, and dynamics in these systems can be obtained. We carry out developments on ab initio simulation of nuclear quantum effects for static and dynamical observables, ab initio simulation of fully anharmonic vibrational spectroscopy techniques, and on structural characterization of complex systems. These developments include machine-learning techniques.

The research groups in the MPSD investigate dynamical phenomena within matter, studying processes on the elementary time- and length-scales of atomic and electronic motions. The Institute is also a partner in the Center for Free-Electron Laser Science (CFEL), collaborating with the Deutsches Elektronen-Synchrotron (DESY) and the University of Hamburg for the development of science based on the X-ray Free Electron Lasers (XFELs).

We are looking for a Post-doctoral scientist (m/f/d).


Your position

Applicants are invited to apply for PD position in our group. The candidate will develop techniques to simulate quantum nuclear dynamics including dissipative non-adiabatic effects. Areas of application will include water at interfaces, in and out of equilibrium.


Your qualification

We are looking for a highly qualified candidate with experience in the field of machine-learning for atomistic simulations and the computation of molecular reactions. The candidate should have a degree in Physics, Chemistry or Materials Science. You must hold the equivalent of a PhD Degree or be about to complete one. Proficiency in scientific programming and maths are required, as well as a strong background in theoretical and computational chemistry and/or physics. You must be fluent in English (German is not required).


Our offer

We offer an innovative environment, which will give you the opportunity to develop your own ideas at the forefront of research. We offer a contract according to the German public pay scale (TVöD). The appointment is for 1 year with possibility of extension. Collaborations with experimental groups in Hamburg and other locations are planned.

The Max Planck Society strives for gender and diversity equality. We welcome applications from all backgrounds. Furthermore, the Max Planck Society is committed to increasing the number of individuals with disabilities in its workforce and therefore encourages applications from such qualified individuals.


Your application

To apply, please complete the online application form. Applications should include a letter of motivation, a curriculum vitae, a list of publications and the full contact details of 2 referees (or letters of recommendation). Please submit your application in English only. The call for this position will be open until filling of the vacancy. The earliest starting date is 01.04.2024.

For further information please contact Dr. Mariana Rossi: [email protected] .

Information about the group activities and https://twitter.com/MPSD_SabIA .

Detailed information about the Max Planck Institute for the Structure and Dynamics of Matter .

We look forward to your application.



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