About this role
Job title: Computational Chemistry Intern
About the Role ASM is offering an internship in computational chemistry in Leuven. This role focuses on building structure-property relationships for smart precursor discovery and lays the foundation for future AI projects in advanced materials research. You will gain hands-on experience in computational chemistry workflows, data-driven modeling, and collaboration with ASM's corporate R&D and Chemistry Innovation teams.
What You'll Do
- Import or create molecular structures and 3D geometries using online databases
- Collect and organize literature data for relevant physical and chemical properties
- Data pre-processing and feature engineering/extraction
- Perform descriptor calculations and analyze correlations with target properties
- Run DFT calculations on select molecules
- Develop and refine predictive models for property estimation
- Document workflows and contribute to internal knowledge base for AI projects
What We're Looking For
- Master’s student or PhD candidate in Chemical Engineering, Chemistry or related fields (Mechanical Engineering, Materials Science, Applied Physics, or Mathematics with strong chemistry interest)
- Experience with DFT simulations
- Interest in machine learning and artificial intelligence
- Hands-on experience with Python and Jupyter notebooks
- Understanding of Python ML scientific libraries and toolkits
- Strong analytical skills and interest in computational chemistry and data driven applications
Compensation & Benefits
- Salary: Not disclosed in the posting
- Benefits: Not disclosed