PhD Position – Machine learning and artificial intelligence for the understanding of diffuse sc[...]

Your Job:

Many technologically important material properties are closely related to disorder and short‑range structural correlations. Diffuse scattering observed in a diffraction experiment on crystalline materials contains the information on dynamic and static disorder. Relating this information to the underlying structural disorder is a challenging task, particularly in the case of single‑crystal diffraction data where the information extends towards 3‑d space. Machine learning offers promising approaches for the solution of complex disorder problems, ultimately aiming at a general and automated workflow for the analysis of single‑crystal diffuse scattering. In this project you will have the opportunity to contribute toward reaching this challenging aim.

Your tasks include:

• Deducing numerous models of structural disorder based on the periodic average structure, crystal chemistry, and complementary information
• Generation of a dataset to train ML models
• Simulation of the corresponding diffraction patterns and comparison to experimental data of a prototypic compound
• Develop a generalized machine‑learning‑based workflow for the interpretation of diffuse scattering

Your Profile:

• Completed Master’s degree in crystallography, material science, physics, chemistry, or a related field
• Interest in scattering methods, solid‑state materials and, ideally, knowledge in programming, machine learning, and artificial intelligence
• Prior knowledge of machine learning is not required but considered an asset
• Independent and responsible working style, commitment, high degree of teamwork, and enjoyment of collaborative work
• Very good command of written and spoken English with extensive vocabulary (at least B2 level according to the CEFR)

Our Offer:

• ENVIRONMENT: A dynamic, international, multidisciplinary and motivated team at one of the largest research institutions in Europe
• RESEARCH & INFRASTRUCTURE: Access to excellent scientific and technical facilities; possibility to perform experiments at large‑scale infrastructures (synchrotron and neutron sources)
• NETWORKING & EXCHANGE: Participation in (international) conferences, enabling you to build and expand your scientific network
• PERSONAL DEVELOPMENT: Integration to the JuDocs Center (Jülich Center for Doctoral Researchers and Supervisors), offering onboarding, qualification opportunities, project monitoring, and counselling; access to additional scientific and professional trainings, and options for international research stays
• WORK‑LIFE BALANCE: Flexible working hours and the option for flexible working location (generally possible after consultation and in line with tasks and on‑site appointments)
• VACATION: 30 days of vacation
• FAIR REMUNERATION: Classified according to pay group 13 (75%) of the TVöD‑Bund, with a special Christmas bonus amounting to 75% of one month’s salary
• FIXED‑TERM: Position is initially for a fixed term of 3 years
• SUPPORT FOR INTERNATIONAL EMPLOYEES: International Advisory Service helps international employees get started and supports them with questions related to starting work and living in Germany

In addition to exciting tasks and a collegial working environment, we offer you much more:

We welcome applications from people with diverse backgrounds, e.g. in terms of age, gender, disability, sexual orientation/identity, and social, ethnic and religious origin. A diverse and inclusive working environment with equal opportunities in which everyone can realize their potential is important to us.

The following links provide further information on diversity and equal opportunities: and on the targeted promotion of women: