Vacancy No. 345/2024

PhD-Student (m/f/d) Uncertainty quantification in multiscale materials modelling

- PhD Position / 75% part-time -

Job description

The Scientific Computing Center is the Information Technology Center of KIT.

This research topic deals with uncertainty quantification of multiscale materials modeling methods.

  • In particularly, you will the coupling of atomistic molecular dynamics with continuum modeling and density functional theory with coarse-grained kinetic Monte Carlo will be investigated in the cases of the following two applications.
  • They use the first application "Friction at Solid-Liquid Interfaces", where molecular dynamics is coupled with a continuum solver, methods for local and global sensitivity analysis need to be developed to determine and discriminate the errors caused by the molecular dynamics simulations.
  • In the second application, "Single-site catalysis in porous materials", the propagation of different types of uncertainties from density functional theory calculations is investigated by coupled kinetic Monte Carlo (KMC) simulations using global sensitivity analysis.

This position offers the possibility to acquire a PhD degree. This thesis will be carried out in the framework of the interdisciplinary Research Training Group 2450 “Tailored Scale-Bridging Approaches to Computational Nanoscience” in close collaboration with partner PhD students within the training group.

Personal qualification
  • You have a degree (Master's level) in mathematics or a compatible STEM subject
  • Knowledge or experience in at least one of the following methodological areas is an advantage:
    • mathematical modeling
    • machine learning / statistical modeling
    • quantification of uncertainty

We offer you an exciting and varied job within an agile team as well as a wide range of training opportunities and flexible and family-friendly working time models. For more information about SCC as your new work home, please visit

We are looking forward to your application (Motivations letter / CV / Certificates)!


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

Organizational unit

Scientific Computing Center (SCC)

Starting date


Contract duration

limited up to 3 years

Application up to


Contact person in line-management

For further information, please contact Dr. Kondov, (


Please apply online using the button below for this vacancy number 345/2024 .
Personnel Support is provided by 

Mr Meschar
phone: +49 721 608-25029,

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

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.