M2 Study Plan

Compulsory (12 ECTS)

-Advanced Methods in Electronic Structure, Dynamics and Molecular Modelling (12 ECTS). The teaching component of these subjects will be organized in an intensive course at the beginning of the academic year during 2 weeks. The location of the course will change annually, but will always be organized in one of the degree-awarding universities of the consortium. All students will attend this common course that presents the principles, formalism, and advanced applications of the most sophisticated methods in Theoretical Chemistry such as correlated methods (Coupled Clusters or Multireference methods), Ab initio Molecular Dynamics or QM/MM methodologies.

Electives (18 ECTS)

– Multiscale, Machine learning and QSAR Methods applied to biomolecules (6 ECTS). The active teaching of this course will take place in the same university as the intensive course corresponding to the compulsory subject. It will be focused on modelling techniques for very large biomolecular systems.

– Advanced Computational Techniques (6 ECTS). Will be focused in the use of supercomputers and grid computing in Theoretical Chemistry and will be always organized in a Supercomputer Centre allowing a closer contact of the students with these European computational facilities. Teachers will mainly come from the different supercomputing centres that participate as associated partners and specialists in code parallelization and grid computing.

– Theoretical Methods for Simulation of Materials (6 ECTS). Will be hosted and co-organized with CECAM and will take place in a CECAM node. It will be focused on advanced modelling of properties of materials, such as magnetism, solar cells or organic photoelectronic devices.

– Computational Chemistry Programming Project (remote learning) (6 ECTS). This is a special subject in the sense that it will be taught remotely, but with the support of local supervisors, and with a high practical content. Remote learning will be used not just to do normal lectures through internet, but also to use other remote techniques as discussion groups, collaborative work, etc., in order to solve a practical problem by using computational techniques.

– From Theory to Implementation: Tutorials in Theoretical Chemistry (6 ECTS). This course will be taught in an intensive way (8 days, and on the basis of a voluntary participation of the students) and organized by UPS in collaboration with the Toulouse CECAM node. It has a structure in which the students have to face short problems or challenges that have to be solved by using computational techniques. Different computational tools are provided by the teachers, but the student in most case will need to modify them. The present organization will be changed to dedicate a day for exams.

– Modelling Electronic Structure (6 ECTS). This course will be taught in SU and will treat advanced aspects related with electronic structure calculations.

– Multiscale Modelling of Complex Molecular Systems (6 ECTS). This course will be taught in SU and will introduce different models from micro to mesoscale to treat complex biological systems.

– Surface and Interface chemistry: Experiment and Modelling (6 ECTS). This course will be taught in SU and will treat the modelling of surfaces and advanced problems as catalysis, corrosion or surface electronic processes.

Compulsory (12 ECTS)

-Advanced Methods in Electronic Structure, Dynamics and Molecular Modelling (12 ECTS). The teaching component of these subjects will be organized in an intensive course at the beginning of the academic year during 2 weeks. The location of the course will change annually, but will always be organized in one of the degree-awarding universities of the consortium. All students will attend this common course that presents the principles, formalism, and advanced applications of the most sophisticated methods in Theoretical Chemistry such as correlated methods (Coupled Clusters or Multireference methods), Ab initio Molecular Dynamics or QM/MM methodologies.

Electives (18 ECTS)

– Multiscale, Machine learning and QSAR Methods applied to biomolecules (6 ECTS). The active teaching of this course will take place in the same university as the intensive course corresponding to the compulsory subject. It will be focused on modelling techniques for very large biomolecular systems.

– Advanced Computational Techniques (6 ECTS). Will be focused in the use of supercomputers and grid computing in Theoretical Chemistry and will be always organized in a Supercomputer Centre allowing a closer contact of the students with these European computational facilities. Teachers will mainly come from the different supercomputing centres that participate as associated partners and specialists in code parallelization and grid computing.

– Theoretical Methods for Simulation of Materials (6 ECTS). Will be hosted and co-organized with CECAM and will take place in a CECAM node. It will be focused on advanced modelling of properties of materials, such as magnetism, solar cells or organic photoelectronic devices.

– Computational Chemistry Programming Project (remote learning) (6 ECTS). This is a special subject in the sense that it will be taught remotely, but with the support of local supervisors, and with a high practical content. Remote learning will be used not just to do normal lectures through internet, but also to use other remote techniques as discussion groups, collaborative work, etc., in order to solve a practical problem by using computational techniques.

– From Theory to Implementation: Tutorials in Theoretical Chemistry (6 ECTS). This course will be taught in an intensive way (8 days, and on the basis of a voluntary participation of the students) and organized by UPS in collaboration with the Toulouse CECAM node. It has a structure in which the students have to face short problems or challenges that have to be solved by using computational techniques. Different computational tools are provided by the teachers, but the student in most case will need to modify them. The present organization will be changed to dedicate a day for exams.

– Modelling Electronic Structure (6 ECTS). This course will be taught in SU and will treat advanced aspects related with electronic structure calculations.

– Multiscale Modelling of Complex Molecular Systems (6 ECTS). This course will be taught in SU and will introduce different models from micro to mesoscale to treat complex biological systems.

– Surface and Interface chemistry: Experiment and Modelling (6 ECTS). This course will be taught in SU and will treat the modelling of surfaces and advanced problems as catalysis, corrosion or surface electronic processes.

Master thesis (30 ECTS).

-Corresponding to a research project, including a research stay, which ends with the presentation and defence of a master’s thesis carried out jointly with another partner university.

Master thesis (30 ECTS).

-Corresponding to a research project, including a research stay, which ends with the presentation and defence of a master’s thesis carried out jointly with another partner university.