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Erasmus Mundus Master of Science in Theoretical Chemistry and Computational Modelling (Leuven et al)

KU Leuven
Program overview
2 years
Full time/part time
Master's degree
Scholarships available
Start dates
September 2022

September 2023

September 2024

About this program

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 they will undoubtedly mark the new era that lies ahead. From this perspective, training and educating new generations of computational and theoretical chemists with a broad, practice-based knowledge is of paramount importance. Experts from several European universities have come together to do just that.

What is the Erasmus Mundus Master of Science in Theoretical Chemistry and Computational Modelling all about? 

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 programme is organised over two years:

The first stage 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 during the summer between stage 1 and stage 2 and runs over four weeks in total. Coursework is taught by a select group of invited international experts.

The second stage 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

KU Leuven Online Open Day

We are organising an online open day on Wednesday 1 December 2021 to inform students about our English-language programmes. Discover Europe’s most innovative university and learn more about our international programmes, admissions, housing and much more. For more information, google “KU Leuven Online Open Day”.

Find out more about Erasmus Mundus Master of Science in Theoretical Chemistry and Computational Modelling (Leuven et al) by filling in your details and the school will contact you.

Admission requirements

Please consult the programme website for recent information on admission requirements.

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Scholarships & funding

Please consult our website for recent information on available scholarships.


Please consult our website for recent information on tuition fees.

Career paths

In addition to commanding a sound theoretical knowledge in chemistry and computational modelling, you will be equipped to apply your mastery of code in a work environment or to develop new codes to address emerging specifications in the fields of research or production.

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.

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About this institute

KU Leuven. Inspiring the Outstanding

KU Leuven is Europe’s most innovative university. Located in Belgium, it is dedicated to research, education, and service to society. KU Leuven is a founding member of the League of European Research Universities (LERU) and has a strong European and...

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Why study at KU Leuven

A Highly Ranked University

According to international rankings, KU Leuven is among the best 100 universities in the world. Moreover, KU Leuven was ranked as most innovative university of Europe by Reuters four years in a row (2016, 2017, 2018 and 2019). All of KU Leuven’s disciplines proudly belong to the top 100 of their field. Scholars and researchers, teachers and visionaries, thinkers and makers all have their place in KU Leuven’s fertile intellectual habitat.

Most Innovative University in Europe

KU Leuven has been identified as Europe’s most innovative university for four years in a row by Reuters. By developing the most important drug against HIV, a new type of solar panel that converts oxygen into hydrogen and uncovering the secrets of Sagalassos, KU Leuven researchers have a profound impact on our everyday lives in nearly all fields of research. That innovative character is deeply embedded in the way we teach our students, by integrating relevant guest lectures, taking an Interdisciplinary approach and opening the most advanced research and education facilities.

A Comprehensive University

As a comprehensive university, KU Leuven offers a wide range of disciplines organized by 15 faculties. Each of these disciplines is ranked in the top 100 of its field according to the THE World University Rankings by subject. Half of the university’s faculties are even in the top 50 within their fields of study.

Contact info

KU Leuven

Oude Markt 13
3000 Leuven

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