Scientist (with possibility to do a PhD) - Molecular Modeling Chemistry

For our team / area “Science of Quality” - Area 1 we are looking for an active, highly qualified (m/f/x)

Scientist (with possibility to do a PhD)

Molecular Modeling - Chemistry

Ref.No. SK116

Duties and responsibilities

• Apply state-of-the-art molecular simulation technologies, both classical and/or 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/binding energy anisotropy of API crystals, molecular descriptors for electrostatic charge of crystals, surface-specific thermodynamic and dynamic parameters, and surface disordering/amorphization of crystal surfaces)
• Develop new scientific ideas, methods 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 (min. € 42.000,- gross/year, overpayment - depending on qualification - possible).
• Possibility to work part-time

At RCPE, we place a strong emphasis on promoting diversity and inclusion.
We are also committed to encouraging women to explore opportunities within our technical environment. We actively encourage applications from women and, when candi-dates possess equivalent qualifications, we give preference while considering all relevant aspects and circumstances of all applications.

We are looking forward to receiving your application including your CV and a cover letter.