Objectives and competences

This master's degree has two main objectives:
- to establish a European standard for studies focused in theoretical chemistry and computational modelling; and 
- to promote international mobility among master's students.
The first edition of the Spanish interuniversity master's degree was offered in 2004. The master's degree was awarded the European Chemistry Thematic Network Association Eurolabel in 2007 (renewed in 2012) and was recognized as Erasmus Mundus master's degree in 2009 (renewed in 2013). 

The master's degree in Theoretical Chemistry and Computational Modelling is currently offered at 14 Spanish universities and 5 universities in other countries in Europe, with an application for an Erasmus Plus Joint Master's Degree still under assessment, which would include more European universities and the University of Barcelona in the consortium.

It can be accessed by graduates in chemistry, physics, materials science or any other scientific discipline.

Basic information

TypeMaster's degree
Faculty or schoolFaculty of Chemistry
Branch of knowledge
  • Chemistry
  • Physics and astronomy
  • Biochemistry and biotechnology
Mode of delivery
  • Face-to-face
Credits120
Number of places available20
Length of course2 academic years
Language(s) of instructionEnglish
Approximate price per credit27.67 euros per credit (82 euros for students who are not EU nationals and do not currently reside in Spain). Fees for the academic year 2023-2024
CoordinationPABLO GAMALLO BELMONTE
Course detailsIndicators
Open pre-enrolmentNo
Open enrolmentYes
Lead to doctoral studiesYes
Admission for applicants not holding a degree qualificationNo
Main university information Master's degree course homepage
InteruniversityYes
Main universityUniversitat Autònoma de Madrid
Universities
  • 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
Bridging coursesYes

Objectives and competences

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.

Competences

Basic:

  • Capacity to apply the knowledge acquired and to solve problems in new or relatively unknown environments within broader (or multidisciplinary) contexts related to the specific field of study.

  • Capacity to integrate knowledge and tackle the complexity of formulating judgements based on incomplete or limited information, taking due consideration of the social and ethical responsibilities involved in applying knowledge and making judgements.

  • Capacity to communicate knowledge and conclusions and the grounds on which they have been reached to specialist and non-specialist audiences in a clear and unambiguous manner.


Specific:

  • Capacity to demonstrate knowledge and understanding of the essential facts, concepts, principles and theories related to the different areas of theoretical chemistry and computational modelling.

  • General understanding of the applications of theoretical chemistry and computational modelling in chemistry, biochemistry, materials science, astrophysics and catalysis.

  • Capacity to use the most common programming techniques in physics and chemistry and to understand the calculation tools that are key to these areas.

Access and admission

Applicant profile and access requirements

Recommended applicant profile

Access requirements and conditions

General requirements
In accordance with Article 16 of Royal Decree 1393/2007, of 29 October, students wishing to be admitted to a university master's degree must hold one of the following qualifications:

  • Official Spanish university degree.

  • A degree issued by a higher education institution within the European Higher Education Area framework that authorizes the holder to access university master's degree courses in the country of issue.

  • A qualification issued by an institution outside the framework of the European Higher Education Area. In this case, applicants must request homologation of the degree to its equivalent official Spanish university qualification or obtain express approval from the University of Barcelona, which will conduct a study of equivalence to ensure that the degree is of a comparable level to an official Spanish university qualification and that it grants access to university master's degree study in the country of issue. Admission shall not, in any case, imply that prior qualifications have been recognized as equivalent to a Spanish master's degree and does not confer recognition for any purposes other than that of admission to the master's degree course.

Specific requirements
The same requirements are applied by all participating institutions. Therefore:

  • Candidates must hold a bachelor's degree or equivalent undergraduate qualification in chemistry, physics or materials science. Applicants who do not hold one of these qualifications, but have a science degree and sufficient knowledge to follow the programme may be admitted, under the tutor's supervision. Such students may be asked to complete additional bridging courses, as determined by the Academic Committee or as agreed with their supervisor and tutor.

  • Level B2 of English or higher.


Students may enrol at any of the participating universities. Decisions on admission, credit recognition and validation of previous studies are taken by the Academic Coordination Committee.

Pre-enrolment

Calendar

3 March'12 juliol 2024.

Notes:

  • Pre-enrolment fee: A pre-enrolment fee of 30,21 euros is charged. Students who apply to more than one master's degree must pay the fee for each pre-enrolment request. Pre-enrolment requests cannot be processed until this fee has been paid.Fees will only be refunded if the master's degree in question is suspended.
  • Reserved places: A maximum of 5% of the new places of the master's degree are reserved for students who meet the general and specific access requirements and accredit the recognition of a degree of disability equal to or greater than 33%.

Required documentation

Selection criteria

  • Candidates must hold a bachelor's degree or equivalent undergraduate qualification in chemistry, physics or materials science. Applicants who do not hold one of these qualifications, but have a science degree and sufficient knowledge to follow the programme may be admitted, under the tutor's supervision. Such students may be asked to complete additional bridging courses, as determined by the Academic Committee or as agreed with their supervisor and tutor.
  • Academic record
  • Level B2 of English or higher.
  • Candidates should demonstrate a positive attitude and motivation (through the statement of interest and, in some cases, a personal interview).

Notification

Enrolment

As a general rule, at the UB you will be required to enrol online. Remember that you can lose your place if you do not enrol on the day you have been assigned

Specific information about the Faculty

Course curriculum

Subjects and course plans

Distribution of credits

Type ECTS
Compulsory 47
Optional 43
Compulsory placements 0
Compulsory final project 30
TOTAL 120

List of subjects

Subject Type Language Credits
Specialization: Theoretical Chemistry and Computational Modelling
Advanced Computational Techniques Optional 6
Advanced Methods in Molecular Structure, Dynamics and Modelling Compulsory 12
Advanced Studies of Methods in Theoretical Chemistry Optional 5
Applied Theoretical Chemistry Laboratory Optional 5
Computational Biochemistry Optional 5
Computational Chemistry Software Project Optional 6
Computational Techniques and Numerical Calculus Compulsory 5
Dynamics of Chemical Reactions Optional 5
Electronic Structure Modelling Optional 6
Electronically-Excited States Optional 5
Final Project Compulsory 30
From Theory to Implementation: Tutorials in Theoretical Chemistry Optional 6
Lasers Optional 5
Linux and Linux System Management Optional 5
Mathematical Principles of Quantum Mechanics Compulsory 5
Methods in Theoretical Chemistry I Compulsory 5
Methods in Theoretical Chemistry II Compulsory 5
Multiscale Machine Learning and QSAR Methods Applied to Biomolecules Optional 6
Multiscale Modelling of Complex Molecular Systems Optional 6
Solids Optional 5
Statistical Mechanics and Applications in Simulation Compulsory 5
Surface and Interface Chemistry Experimentation and Modelling Optional 6
Symmetry in Atoms, Molecules and Solids Compulsory 5
Theoretical Methods for Material Simulation Optional 6
Transferrable Scientific and Linguistic Skills Compulsory 5

Bridging courses

Subject Type Language Credits
Specialization: BC for admission to the Master's Degree in Theoretical Chemistry and Computational Modelling
Bridging Subject in Chemistry Optional 6
Bridging Subject in Physics Optional 6
Train-Up Subject in Mathematics Optional 6

Previous years

Placements

Placements in a company or another type of organization are an integral part of university studies, providing first-hand experience of working methodologies in students' chosen professional fields. They offer invaluable practical experience for the transition into work after graduation.



Placements are supervised by tutors and subject to assessment. They are therefore included in the academic record.  There is also an option to complete non-curricular placements of up to 500 hours, which can be extended to 900 hours. For both curricular and non-curricular placements, an educational cooperation agreement is signed between the UB and the company, institution or other organization at which the placement will be carried out.



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