Complex and Data-driven Chemistry 2024

A new program in English within the MSc-degree of Chemistry focusing on integrating chemistry with fundamental concepts of ‘data-driven chemistry’.

Complex and Data-Driven Chemistry


Chemistry is undergoing a paradigm shift from the preparation and study of single molecules and structures towards sophisticated systems in which chemical reactions, materials, and devices are interconnected. From the working mechanisms of biomolecules, to catalysis, to the design of materials, complexity is emerging as a pervasive concept in chemistry and offers a modern perspective that unifies many research areas. Complexity in chemistry also marks a transition towards information chemistry characterized by the treatment of large data sets that originate from studying and implementing systems with a vast parameter space.


The scope of this program is to provide chemistry students with the competences to study complex chemical systems in different areas of chemistry (catalysis, materials, synthesis) and with the tools to collect, analyse, and exploit large chemical data sets. Students will learn the fundamental concepts of  ‘data-driven chemistry’, including machine learning, chemometrics, and design of experiments.

  Program and Courses Overview

Program characteristics

  • Chemistry courses dedicated to the design, analysis and exploitation of complex chemical systems
    • Characterization of complex chemical systems
    • Analysis of complex chemical systems
    • Catalysis
    • Organic synthesis design
    • Systems chemistry
  • Specific courses dedicated to ‘Data-Driven Chemistry’
    • Statistical learning for chemistry (with coding)
    • Multiscale chemical modelling
    • Chemometrics
  • First year: theory, second year; practice (minor (10 CFU) + major (40 CFU) internships)
  • All courses in English

Overview of the Courses

1° SemesterCFU
Statistical Learning for Chemistry (with coding lab)10
Characterization of complex chemical systems6
Analysis of Complex Chemical Systems6
2° Semester 
Multiscale Chemical Modeling6
Chemometrics 6
Organic Synthesis Design 6
Systems Chemistry 6
Optional Course6
3° Semester 
Applied Chemistry6
Optional Course6
Internship Project10
4° Semester 
Final research Project40

The detailed programs of the courses can be found here.


Students participating in this program are expected to be already familiar with the following subjects.

Mathematics: Calculus, Geometry and Algebra.
Physics: classical mechanics and electromagnetism.
Analytical Chemistry: basic principles of chromatography, spectroscopy, and mass spectrometry.
Physical Chemistry: thermodynamics and quantum chemistry.
Inorganic Chemistry: general chemistry and chemical kinetics; basic principles of solid-state chemistry, coordination chemistry, and complex ion equilibria.
Organic Chemistry: structure-property relationships of organic molecules, basic knowledge of the reactivity of organic molecules, familiarity with the characterization of organic molecules.

For any information request, write your enquiry here