Theoretical and Computational Chemistry (TCC) is at the forefront of developments in modern chemistry and was recognised as such by the international scientific community when in 1998 the Nobel Prize was awarded to John A. Pople and Walter Kohn for their work in advancing scientific knowledge in this field and understanding chemical processes associated with all kinds of natural and man-made phenomena. In Spain, TCC is represented by a wide range of research groups that stand out for their scientific excellence, which is internationally renowned in the field: so much so that it can be said in research terms to be one of the most scientifically advanced sub-disciplines of chemistry in Spain.

Research in Theoretical Chemistry requires a wide range of training in fundamentals of mathematics and physics, in quantum mechanical methods, programming skills and computer-simulation methods. The acquisition of such specialised knowledge is not possible through a general PhD programme. On the other hand, despite the high number of researchers in the field, no one university can bring together enough students to guarantee its own viable specific doctoral problem, nor can it have at its disposal a wide-enough range of staff to guarantee competence in all areas of TCC.

This course’s general aims are the following:

• Promote the training of new researchers in the field of TCC, with the aim of raising quality of research groups in this field and strengthening future researchers’ specialisation in the field.
• Promote, through student and researcher mobility, the exchange and mutual knowledge of research groups. As a result the education of future researchers will be under the care of prestigious researchers in each specialist area, making best use of their educative abilities.
• Promote personal relations between staff and students, and above all between students themselves, to ensure that future members of TCC research groups maintain the drive to collaborate and work together.
• Promote and enable scientific collaborations and human relations between students and staff from various institutions and autonomous communities.

First year

Module M1 (60 credits)

The M1 Module consists of:

• Leveling Course (10 credits).
• Foreign Language Course (5 credits)
• Obligatory subjects (30 credits)
• Elective subjects (15 credits)

Second year

Module M2 (60 credits)

El M2 Module consists of:

• Four week intensive Course (30 credits).
• Thesis of the Master (30 credits)

More information in the Master's Degree in Theoretical Chemistry and Computational Modelling website section " Subjects "

• Molecular Modelling and Drug Design

• Dr. Francisco Muñoz Izquierdo
• Dra. Josefa Donoso Pardo
• Dr. Juan Frau Munar
• Dr. Bartolomé Vilanova Canet
• Dr. Antoni Salvà Salvà