• Application Deadline
  • 24 months
Modern chemistry would be unthinkable without the achievements of theoretical and computational chemistry. These disciplines became an essential tool for the molecular sciences towards the end of the 20th century, and will undoubtedly mark the new era that lies ahead. The Theoretical Chemistry and Computational Modelling programme trains new generations of computational and theoretical chemists


Find your way into the cutting edge of contemporary chemistry. Theoretical and computational models of chemistry are at the vanguard of the new era in the molecular sciences. The aim of the programme is to train scientists that are able to address a wide range of problems in modern chemical, physical and biological sciences through the combination of theoretical and computational tools.

This programme is currently organised by:

  • Universidad Autónoma de Madrid (coordinating institution), Spain
  • Universiteit Groningen, the Netherlands
  • KU Leuven, Belgium
  • Università degli Studi di Perugia, Italy
  • Université Paul Sabatier - Toulouse III, France
  • Universitat de Valencia, Spain

The Erasmus Mundus Master of Theoretical Chemistry and Computational Modelling is a joint initiative of these European Universities, including KU Leuven and coordinated by the Universidad Autónoma de Madrid. 


The programme is organised over two years:

  • Year one of the programme introduces you to concepts and methods. The core of the programme is an intensive international summer course intended to bring all participants to a common level of excellence. It takes place in the summer between year 1 and year 2 and runs over four weeks in total. Coursework is taught by a select group of invited international experts.
  • The second year of the programme is devoted to tutorials covering the material dealt with in the intensive course and to a thesis project carried out in part at another university within the consortium.

The intensive course is organised at the partner institutions on a rotating basis.


The Department of Chemistry aims to develop and maintain leading, internationally renowned theoretical and computational research programmes dedicated to solving fundamental and applied problems

As well as being able to participate in research led by groups in Leuven, students in the programme can draw upon the research expertise in the different partner universities

You’ll have the opportunity to specialise in research relating to

  • Modelling of catalysis, both homogeneous and heterogeneous
  • Modelling of biomolecular systems, using both classical and quantum mechanical methods
  • Photochemistry and photophysics
  • Materials and nanomaterials
  • New theoretical algorithms and methodologies
Career perspectives

In addition to commanding sound theoretical knowledge in chemistry and computational modelling, you will be equipped to apply any of the scientific codes mastered in the programme in a work environment, or develop new codes to address new requirements associated with research or productive activities.

You will have attained the necessary skills to pursue a scientific career as a doctoral student in chemistry, physics or material science. You will also be qualified to work as an expert in molecular design in the pharmaceutical industry, at petrochemical companies and in the new-materials industry. You will also have a suitable profile to work as a computational expert.

Questions about student life in Belgium, life at KU Leuven or more information about a specific course? Chat with our students: www.kuleuven/be/chatwithourstudents.

Programme Structure

Compulsory courses

  • Quantum Chemistry 
  • Chemical Applications of Group Theory 
  • Chemistry in Motion
  • Chemical Statistical Mechanics
  • Density Functional Theory 
  • Electronic Structure of Molecular Materials 

Levelling courses

  • Quantum Physics
  • Computational Chemistry

Elective courses

  • Nanostructured Bio-Macromolecules
  • Physical Chemistry of Biological Systems
  • Physical Chemistry of Polymers
  • Electrochemical Methods in Inorganic Chemistry
  • Chemistry at Nanometre Scale
  • Computational Methods in Solid State Physics
  • Biomolecular Interactions
  • Advanced Computational Chemistry

Research Internship

International Intensive Course

Master's Thesis

Detailed Programme Facts

English Language Requirements

  • Minimum required score:


    The IELTS – or the International English Language Test System – tests your English-language abilities (writing, listening, speaking, and reading) on a scale of 1.00–9.00. The minimum IELTS score requirement refers to which Overall Band Score you received, which is your combined average score. Read more about IELTS.

    Get a free IELTS practice test
  • Minimum required score:


    The TOEFL®PBT is administered in a paper format and measures your ability to use and understand English in a classroom setting at the college or university level. It accurately measures how well you can listen, read and write in English while performing academic tasks. Read more about TOEFL®PBT.

    Schedule TOEFL®

General Requirements

  • Bachelor (of Science) in Chemistry, Physics or Material Science, or any equivalent level if authorized by the legislation of the corresponding European Country. 
  • Other scientific bachelors can be accepted, provided the student takes complementary levelling courses, under the supervision of his local Tutor.

The selection of the students applying for the Master is made (this applies both to European and third-country students) by the International Committee of the Master.

For more information on the admission requirements, please visit the homepage of the programme.

Tuition Fee

  • International

    4000 EUR/year
    Tuition Fee
    Based on the original amount of 4000 EUR per year and a duration of 24 months.
  • EU/EEA

    4000 EUR/year
    Tuition Fee
    Based on the original amount of 4000 EUR per year and a duration of 24 months.
We've labeled the tuition fee that applies to you because we think you are from and prefer over other currencies.

Living costs for Leuven

  • 810 - 1280 EUR/month
    Living Costs

The living costs include the total expenses per month, covering accommodation, public transportation, utilities (electricity, internet), books and groceries.


Check the programme website for information about funding options.

Studyportals Tip: Students can search online for independent or external scholarships that can help fund their studies. Check the scholarships to see whether you are eligible to apply. Many scholarships are either merit-based or needs-based.

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Erasmus Mundus Master in Theoretical Chemistry and Computational Modelling
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