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Theoretical Chemistry and Computational Modelling

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This master's degree is intended to provide advanced specialized or multidisciplinary training in preparation for research in theoretical or computational chemistry.
In the last twenty years, computational molecular modelling has become a useful tool in many knowledge areas including biochemistry, new materials, all fields of chemistry, and emerging areas such as nanoscience. Work in this area has been recognized by the Nobel Prize in Chemistry awarded to Walter Kohn and John A. Pople in 1998, and to Martin Karplus, Michael Levitt and Arieh Warshel in 2013.

Therefore, computational simulations have become an important branch of science that helps overcome the inherent limitations of theoretical and experimental studies and constitutes the 'third pillar' of science. As a result, there is an increasing demand for experts in this field, not only in academia, but also in industry, as an increasing number of companies consider molecular -scale modelling an essential tool.

This is an interuniversity master's degree course, in which various institutions have joined forces to provide common training for students at all of the internationally recognized research groups participating in the programme (at the UB, the Institute of Theoretical and Computational Chemistry and the other participating universities). The course has a total study load of 120 credits, spread across two academic years: M1 (60 credits) and M2 (60 credits). The classes will be taught in intensive courses (Spanish in M1 and international in M2) at the university and by video conferencing.

The European Chemistry Thematic Network Association, comprised of fourteen Spanish universities and eleven universities from the rest of Europe, has recognized this master's degree course as a Euromaster (2010‒2015).

Learning objectives

  • To establish a European standard for studies focused on theoretical chemistry and computational modelling research.

  • To train experts in the use and development of computational techniques in molecular sciences, in order to work with new materials in the pharmaceutical, petrochemical and new materials industry.

  • To prepare students for doctoral programmes in chemistry, physics, life sciences or materials science.

  • To promote international mobility among research students.

  • To provide a high-level postgraduate qualification for students from a wide range of countries, including those outside of Europe.

Basic Information

Main university:
  • Universitat Autònoma de Madrid
  • Universitat Autònoma de Madrid
  • Universitat Barcelona
  • Universitat Cantàbria
  • Universitat Extremadura
  • Universitat Illes Balears
  • Universitat Jaume I
  • Universitat Múrcia
  • Universitat Oviedo
  • Universitat País Basc
  • Universitat Salamanca
  • Universitat Santiago
  • Universitat València Estudi General
  • Universitat Valladolid
  • Universitat Vigo

Number of ECTS credits awarded:
Language(s) of instruction:
 English (100%)
Number of places available:
Approximate price:
 46,50 euros per credit ( 82 euros for students who are not EU nationals and do not currently reside in Spain). Fees for the academic year 2018-2019
Faculty or school:
  Faculty of Chemistry
Master's degree course homepage:
  Master's degree course homepage
Further information

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