Doktorand*in (w/m/d)
Core
Research PhD position developing molecular simulation methods (DFT, Monte-Carlo) to model and simulate adsorption processes in porous materials.
Role type
PhD researcher (computational chemistry/simulation)
Builds
Computational models and simulations of adsorption mechanisms
Domain
Chemical engineering / Thermodynamics / Computational chemistry
Deliverable
production ML models
Required skills
DFT, Monte-Carlo simulations, Python, C++, Linux, thermodynamics, kinetics, porous materials
Preferred skills
Scientific algorithm implementation, experimental data analysis, teaching experience
Technologies
DFT, Monte-Carlo, Python, C++, Linux
Responsibilities
Develop and optimize computational models for adsorption mechanisms; Analyze and interpret adsorption processes at the molecular level; Publish research results in scientific journals and conferences; Contribute to teaching and course conception; Support administrative and organizational tasks
Seniority
PhD candidate (entry-level research)