Intern - Computational Chemistry

ASM

Leuven, Belgium
On-site
Machine-readable chemical library
Molecular descriptors and properties
Computational chemistry workflows
This internship focuses on building structure–property relationships for smart precursor discovery, laying the foundation for future AI projects in advanced materials research

Job Summary

  • This internship focuses on building structure–property relationships for smart precursor discovery, laying the foundation for future AI projects in advanced materials research.
  • Key Responsibilities include importing or creating molecular structures, collecting literature data, data pre-processing, descriptor calculations, and developing predictive models.
  • Gain hands-on experience in computational chemistry and data-driven modeling, with practical skills in Python-based data analysis and AI preparation workflows.

Matching Summary

This internship focuses on building structure–property relationships for smart precursor discovery, laying the foundation for future AI projects in advanced materials research.

Skills & Requirements

Must-have

  • Machine-readable chemical library
  • Molecular descriptors and properties
  • Computational chemistry workflows
  • Python-based data analysis
  • DFT calculations
  • Predictive models for property estimation

Nice-to-have

  • AI-driven materials discovery
  • Structure-property relationships
  • Industry-relevant research
  • Collaborative R&D teams

Key Requirements

  • Master’s student or PhD candidate
  • 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

Work Rights

Not specified

Tailored Resume

Cover Letter