Study Program Structure and characteristics of the first year (M1)

The first year of the Master is arranged locally at the member University, but it has the basic same structure in all Institutions of the consortium. In the first year the student must attend courses and pass related exams for 60 ECTS credits. These courses will provide the student with the background necessary to follow the second year of the Master, which has a marked International research character.

In M1, the student assessment in each course is the sum of:

a) the continuous evaluation of the teachers responsible for the weekly tutorial sessions
b) the result obtained by the student in the associated examination.

In the continuous evaluation (item a) the teacher takes into account

i) the ability to solve questions and/or numerical problems

ii) the active participation in the discussions of the tutorial sessions

iii) the capacity to propose new problems or interesting questions to be analyzed or discussed.

For the particular case of the Programming Module, the assessment is a function of the amount and quality of the codes produced. Particular attention is devoted to the appropriate documentation of the codes.

To pass from M1 to M2 the students should pass all the modules (30 compulsory and 30 eligible or semi-optional ECTS). If a student fails in some of the compulsory or semi-optional modules he/she will have a second chance to pass them. After a second failure the student is not allowed to continue the Master. If the student fails in an
Eligible module, he/she has the option of either passing it in a second attempt or choosing a different eligible module. If the student takes the second possibility, he has only one attempt to pass the module.
 

M1 course is articulated in five Modules

Module 1: General Background 

Module 1 (14 ECTS credits) corresponds to a general background in theoretical chemistry that should provide the student with the necessary knowledge for the correct use of the mathematical tools required for the development of the Theoretical Chemistry, a sound knowledge of the fundamental postulates of Quantum Mechanics and its methodology, as well as of the fundamental aspects of Statistical Mechanics required to the study of molecular ensembles, condensed phase systems and reactivity question. 

Two courses are included:

- Mathematics (Calculus of one and several variables. Linear algebra, including scalar products, linear operators, adjoint, hermitian, unitary, representation in a given basis and change of it, linear systems, algebraic eigenvalue equations): 5 ECTS credits.

- Molecular Quantum Mechanics + Statistical Mechanics (Foundations of quantum mechanics, angular momentum, spin considerations, Basic concepts in statistical thermodynamics, distribution of states, internal energy and entropy, the canonical partition function, heat capacities, equations of state, equilibrium constants): 9 ECTS credits.

Module 2: Computational Techniques

Module 2 (6 ECTS credits) aims at the training of the students in the use of the most frequently employed
programming languages in physics and chemistry as well as in Fortran programming

One course is included:

- Programming and Numerical Methods (Basic Fortran 90/95. Numerical integration. Rudiments of integral equations and their numerical resolution. Nonlinear equations): 6 ECTS credits.

Module 3: Basic Applications

Module 3 (10 ECTS credits) addresses basic applications of theoretical chemistry and will provide the mathematical background required for the treatment of symmetry in atoms, molecules and solids and an overview of the different quantum mechanical methods to treat spectroscopic problems and excited states as well as to introduce the student to the fundamental laws which govern the dynamics of chemical reactions.

Two courses are included:

- Group Theory and Basic Spectroscopy (group theory, perturbation theory, variational methods, atomic spectra and atomic structure, introduction to molecular structure, MO theory, electron correlation, molecular rotations and vibrations, molecular electronic transitions, electric and magnetic properties, scattering theory): 5 ECTS credits.

- Basic Reaction Dynamics (collision theory, activated complex theory, dynamics of molecular collisions, processes at solid surfaces, catalytic activity): 5 ECTS Credits.

Module 4: Elegible and levelling courses

Module 4 (30 ECTS ) corresponds to eligible or semi-optional courses devoted to complement the training in different areas of chemistry. The semioptional ones cover different applications or specific aspects of TCCM not included in the compulsory courses. The elegible ones are devoted to complement the training in different areas of chemistry, where the application of theoretical chemistry is useful or required. Those students who, on the advice of their local tutor, need to upgrade their initial level in Mathematics, Physics or Chemistry will take, instead of eligible courses, one or two levelling courses in one of these matters. Students cannot be admitted to the Master if they need to upgrade their knowledge in more than two areas.

4a. Elegible Courses

The universities will offer different elegible courses depending of the specific vocation of each university. The elegible courses will cover either advanced techniques or applications to different fields (Nanosciences, Solids, Spectroscopy, Solid State, Astrochemistry and atmospherical Chemistry, Biochemistry, Organic/Inorganic Chemistry, Reactivity...) 

4b. Levelling Courses

Three different courses of 5 ECTS credits each will be offered:

- Levelling course in Mathematics (Linear Algebra. Scalars and vectors. Vector spaces and linear dependence. Matrices and determinants. Integrals. Integral theorems. Vector fields. Differential equations. Partial differential equations).

- Levelling course in Physics (Kinematics. One-particle dynamics. Energy and work. Thermodynamics. Classical oscillators. Dynamics of many-body systems and solids. Gravitation. Wave mechanics. Electric field. Gauss law. Electric potential. Maxwell equations. Optics.)

- Levelling course in Chemistry (Notions of atomic and molecular structure. Chemical bonding. Transition metal complexes. Crystal field theory. Chemical equilibrium. Acids and bases. Aqueous equilibria. Elements of chemical kinetics. Organic chemistry: hydrocarbons and functional groups. Biochemistry.)

Module 5. Foreing Language

Module 5 (5 ECTS credits) is devoted to improve the knowledge of a second European language. This module is compulsory

- Foreign Language: 5 ECTS Credits.