In the framework of the ERC-funded 5 year project “Controlled Mechanical Manipulation of Molecules” a postdoc position in the field of molecular simulations is available at the Peter Grünberg Institute (PGI-3) of Forschungszentrum Jülich Research Center, Germany.

Topic

The successful candidate will perform simulations of organic molecules on metals using approaches of different complexity (DFT, Quantum Machine Learning, force fields) that allow to study all aspects of molecular manipulation with a scanning probe microscope (SPM).

The long-term goal of the research group headed by Christian Wagner is full conformational control over molecules on surfaces via SPM at cryogenic temperatures. Once achieved, this control will enable a new quality of engineering. For example, a variety of experiments in the field of molecular electronics, or the construction of metastable molecular structures and devices on the surface from individual molecules. Overall, achieving this goal requires a new quality of interaction between experiment and simulation – in real time.

The candidate is furthermore expected to contribute (depending on his/her competence and interests) to the following activities which take place in the context of this goal:

Further development of a code, specifically dedicated to the simulation of molecular manipulation;

Data-visualization in a fully immersive 3D system;

The use of machine learning methods for the analysis of simulated and measured data. Here, the candidate can acquire a broader scientific profile via a collaboration with our partners in the fields of machine learning and control theory.

Qualifications

A PhD in Chemistry, Physics, Engineering or Materials science is required. The candidate should have a solid background in computational chemistry and the simulation of molecular systems. Advantageous are programming skills (C++ or similar), experience with non-linear optimization, and ideally also with machine learning techniques. The applicant should be able to work independently in the interdisciplinary environment of a nanotechnology lab.

Employer

The FZJ is one of the largest German research centers. It offers excellent opportunities for research in an international environment. Within the Jülich-Aachen Research Alliance (JARA), founded under the auspices of the German Excellence Initiative, it is closely linked to the RWTH Aachen University.

Salaries are competitive (TvöD + allowance depending on the candidate's profile), and there is no teaching load. Forschungszentrum Jülich aims to employ more women in this area and therefore particularly welcomes applications from women. We also welcome applications from disabled persons.

Further information about the project can be obtained from Christian Wagner ([email protected]) and under http://momalab.org/. Please send your application, including a letter of intent, preferably via e-mail.

------------------------------------------------------

Christian Wagner
Peter Grünberg Institut (PGI-3)
Forschungszentrum Jülich
52425 Jülich
Germany
E-mail: [email protected]