Scientist (with possibility to do a PhD)

For our team / Area 1 "Science of Quality"

we are looking for an active, highly qualified (m/f/x)

Scientist (with possibility to do a PhD)

Molecular Modeling - Chemistry

PhD possible

Ref. No. SK125

Duties and responsibilities

• Apply state-of-the-art molecular simulation techniques, both classical and ab-initio/DFT based approaches, to establish properties and understand/predict the behavior of materials in pharmaceutical production processes (e.g., for prediction of mechanical properties, cohesion energy density, morphology/habits, or molecular mobility and disorder/amorphization propensities of API crystals.

• Develop new scientific ideas, methods, algorithms, and technologies.

• Actively participate in project teams/ meetings/ scientific networks.

• Report and present scientific/ technical results and contribute to publications & presentations

Requirements

• An MS degree in theoretical chemistry, (bio-)physics, material science, or a related field.

• Hands on experience with classical molecular mechanics/dynamics and/or ab-initio/DFT simulation tools and methods, including a good understanding of the involved algorithms and theory.

• Experience in programming, (e.g., python, or C++) and familiarity with Unix/Linux systems, including common command line tools.

• Professional conduct and communication skills in dealing with international clients, partners and colleagues

• Interest in and experience with performing top-level and target-oriented research at the interface of basic science and industrial application.

Good to Have

• A good background in pharmaceutical manufacturing processes.

• Experience in the experimental characterization of materials.

• Experience with advanced simulation methodologies (e.g., extended ensemble techniques, use of ML-based potentials, or optimization of classical empirical force fields)

• Experience with common AI/ML libraries and tools.

• Familiarity with alternative algorithms and tools, such as population balance equation solvers, CFD, or DEM applications.

We offer

• A multidisciplinary and dynamic research environment and access to highly modern infrastructure on campus of Graz University of Technology

• Opportunities for career development at the academic and industrial level

• A competitive salary (Scientist interested in pursuing a PhD degree: min. € 42.000,-gross/year, Senior/Principal Scientist: min. € 56.000,- gross/year - overpayment - depending on qualification - possible).

• Possibility to work part-time

We are looking forward to receiving your application including your CV, a cover letter, your publication record and credentials.