Erasmus Mundus Master's in Theoretical Chemistry and Computational Modelling (TCCM)

  • Course duration: Two years
  • Languages of instruction: English & French
  • Diplomas delivered: Two postgraduate diplomas
  • Course locations: France, Belgium, Italy, Spain, The Netherlands

Programme Overview

Theoretical simulations are nowadays needed in all branches of chemistry and molecular physics. Their range of applications include the design of new drugs in the pharmaceutical industry, new materials and nanodevices in applied physics, quantum computing, the prediction of the properties and reactivity of the new chemical compounds needed in the chemical industry.

TCCM is a European (Erasmus Mundus) master's degree offering students the possibility to explore these topics of high impact and in which well-trained professionals are in high demand. The programme covers all fundamental aspects: theoretical methodologies, computational techniques and main applications. It is designed to:

  • Teach students about the fundamentals of quantum chemistry, which is at the core of most accurate techniques in theoretical chemistry.
  • Provide students with the necessary skills to use and modify the most advanced software codes and cutting-edge technologies in artificial intelligence and quantum computing, among others.
  • Teach students how to simulate complex systems by combining techniques based on quantum and classical molecular mechanics.

An international consortium involving academic and public institutions and companies from all over the world supports the programme:

  • Belgium
    Catholic University of Leuven
  • France
    Paul Sabatier University – Toulouse III
    Sorbonne University
  • Italy
    University of Perugia
    University of Trieste
  • Spain
    Autonomous University of Madrid (programme coordinator)
    University of Barcelona
    University of Valencia
  • The Netherlands
    University of Groningen
  1. The Australian National University;
  2. Regents of the University of California Berkeley;
  3. Stanford University;
  4. University of Southern California;
  5. National University Corporation Kyoto University;
  6. Xiamen University;
  7. Khalifa University of Science, Technology & Research;
  8. Pontifical Catholic University of Chile;
  9. UT-Battelle;
  10. University of Pisa;
  11. University of Montpellier;
  12. UPPA;
  13. University of Bordeaux;
  14. University of Cantabria;
  15. University of Extremadura;
  16. University of the Balearic Islands;
  17. Jaume I University;
  18. University of Murcia;
  19. University of Oviedo;
  20. University of Salamanca;
  21. University of Santiago of Compostela;
  22. University of Valladolid;
  23. University of Vigo;
  24. University of the Basque Country;
  25. Max Planck Institute for Coal Research;
  26. École Polytechnique Fédérale de Lausanne;
  27. Barcelona Supercomputing Centre;
  28. SURFsara BV;
  29. CINECA;
  30. Simune Atomistics SL;
  31. MasterUp SRL;
  32. Q-Chem, Inc.;
  33. Mestrelab Research S.L.;
  34. IBM;
  35. Accenture.

Programme Outline

TCCM is a two-year master’s programme (120 ECTS):

  • Year 1= M1 (60 ECTS)
  • Year 2= M2 (60 ECTS)

The M1 courses are taught at the local level. The syllabus to be implemented in each university has been agreed upon by all degree-awarding universities to ensure common contents, within the restrictions imposed by national regulations or by the need to adapt the plan to the level of local students.

Students originally enrolled at Sorbonne University's Faculty of Science & Engineering (as their local academic institution) will have to follow the following courses:

Semester 1

Mandatory courses (conducted in French, 24 ECTS)

  1. From microscopic to macroscopic conditions [MU4CI201]
  2. Molecular chemistry [MU4CI401]
  3. Materials chemistry [MU4CI601]
  4. Professional insertion [MU4CIOI1]
  5. English [MU4XAN1]

Elective courses (conducted in French, 6 ECTS)

  • Students can choose from the full list of the courses taught at the Graduate Department of Chemistry. More information about these courses can be found on our pages in French
Semester 2

Mandatory courses (conducted in French & English, 24 ECTS)

  1. Chemistry and numerical technologies [MU4CI302]
  2. Theoretical approaches of chemical bond [MU4CI310]
  3. Internship & thesis defence [MU4CI101]
  4. Bibliographic project [MU4CI102]

Elective courses (conducted in French, 6 ECTS)

  • The student can choose from the full list of the courses taught at the Graduate Department of Chemistry. More information about these courses can be found on our pages in French.

All M2 courses (mandatory & elective) are common in all participating universities. They will be taught during the first semester of the second year to all TCCM master’s students. They have been designed to promote mobility and will be held in different countries, but allowing that at least 30 ECTS are completed in one single country. This scheme will ensure that all students take long periods in at least two different countries and can fulfil the required compulsory mobility of 30 ECTS in a second country in any of the two semesters of the second year, or in both, having extra mobility periods adding up to more than 30 ECTS.

The M2 courses include mandatory subjects (intensive course of 2 weeks for all the M2 students registered) and several elective subjects covering the different fields of applications. Note that due to the different calendars, there might be some overlapping between the Sorbonne University courses and the intensive courses. Some teaching might be conducted in French with the possibility to request resources and support materials in English.

Semester 3

Mandatory courses (conducted in English, 12 ECTS)

  • A 2-week intensive course: advanced methods in electronic structure, dynamics and molecular modelling. It takes place in one of the partner institutions. The exact dates and locations will be available at the end of year 1/M1).

Elective courses (conducted in English & French, 18 ECTS)

  1. Advanced electronic structure [MU5CI208, 6 ECTS] a
  2. Multiscale modelling of complex molecules [MU5CI209, 6 ECTS] a
  3. Surfaces and interfaces: experiment and modelling [MU5CI611, 6 ECTS] a
  4. Multiscale, machine learning and QSAR methods applied to biomolecules [6 ECTS] b
  5. Theoretical methods for simulation of materials [6 ECTS] b
  6. Advanced computational techniques [6 ECTS] b
  7. From theory to implementation: tutorials in theoretical chemistry - winter school [6 ECTS] c
  8. Computational chemistry programming project [remote learning, 6 ECTS]
    a) These courses are taught at Sorbonne University. They are semester-long courses. Students originally registered at Sorbonne University should take at least 2 out of these three courses.

    b) These courses are intensive one-week courses taking place in one of the partner institutions. In addition to attendance,
    students who choose the course should pass an exam complete a required assignment that they manage in autonomy. Detailed information about the location and exact dates will be available at the end of year 1/M1 to students already enrolled in the programme.

    c) This course is an intensive one-week course that takes place in January in Louchon, France. In addition to attending the course, students should complete a required assignment that they manage in autonomy.


Semester 4

Mandatory (30 ECTS)

  • Internship : for the master's thesis, students will need to spend a minimum of three months in a country different from the country of their home institution (in which they are registered). They will also need to work with different partners in different countries, to enhance collaboration and integration among research groups and to ensure that students learn at least two complementary techniques.

    Note that information about internship stipends should be discussed with the host institution or firm. Financial aid for international mobility will be available as part of the programme to cover some of the expenses for students wishing to pursue an internship abroad.

Students who successfully complete the two years of study will earn two postgraduate diplomas:

  1. A joint diploma issued by the Autonomous University of Madrid, the coordinator of the programme, and co-signed by the other enrolling universities. The joint diploma will bear the following mention “Master Universitario Erasmus Mundus en Quimica Teorica y Modelizacion Computacional”.

  2. A second diploma issued by Sorbonne University. The diploma will bear the following mention: “Master de Sciences et Technologies, Santé, mention Chimie”.

Entry Requirements & Admissions

Students who are applying for the programme can select up to three or four enrolling universities following their order of preference. An international pedagogical committee will meet to review applications and to assign each successful candidate to one of the 9 enrolling universities. In doing so, they will try to respect the  student’s choice, local criteria and balance between partners in terms of number of students attending. There are five main criteria that will guide the committee in their final decision:

  • The bachelor’s diploma obtained,
  • The student's academic records,
  • Excellence of the origin university (ranking),
  • Reference & recommendation,
  • Other activities and skills (languages, programming, publications, etc.).

Eligible to apply:

  • Students having successfully graduated and completed a first undergraduate degree/bachelor’s. Those who have fulfilled the equivalent of 180 credit points (European Credit Transfer and Accumulation System/ECTS) will be accepted provisionally, until they provide their diploma before the beginning of the academic year.
  • Students who have earned a diploma in one of the following areas: chemistry, physics, materials science, chemical engineering, pharmacy, biotechnology, informatics, mathematics, materials engineering, electronics engineering, or other related fields (including loosely related subjects such as food technology).

Not eligible to apply:

  • Students who have already participated in an Erasmus Mundus Joint Master's.
  • Students who have been accepted to register in an Erasmus Mundus Joint Master's.

Registration Fees

  • If Sorbonne University is your enrolling university, additional information about registration fees can be found on our pages in French.


  • Erasmus Mundus scholarships are available: 1000 EUR/month for the whole duration of the programme, plus health insurance, mobility and registration fees covered.
  • Financial aid can be obtained to cover, at least partially, international mobility for self-funded students (students who are not receiving a grant or a scholarship).
  • Applications are open between November-February (the academic year starts in September).
  • All applicants (including those applying for Eramus Mundus grants) have to proceed via the website

Benefits of attending the programme

  • Two postgraduate diplomas: students will be issued a joint diploma in addition to a master’s degree delivered by Sorbonne University.
  • High employability: TCCM is a research-oriented master's with high employability rates in academia and in companies. It has been funded by Erasmus Mundus+ for 2019-2024 (4.5 M€) and is active since 2000.  Students will be exposed to real research and work environments and will be able to build a solid professional network with associated partners (covering high-level academic research in supercomputing centres and in international companies, these partners propose complementary activities).


Graduate Department of Chemistry
Faculty of Science & Engineering, Sorbonne University

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