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.
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.
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.
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.
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.
This course will be taught in SU and will treat advanced aspects related with electronic structure calculations.
This course will be taught in SU and will introduce different models from micro to mesoscale to treat complex biological systems.
This course will be taught in SU and will treat the modelling of surfaces and advanced problems as catalysis, corrosion or surface electronic processes.