School on Modelling of Large Molecules

It will be organized by University Paul Sabatier Toulouse III and it will take place from june 11-15, 2012. This course is primarily intended for students of second year of the master and a maximum of 30 to 35 students could be admitted. The cost of the course, including registration, accommodation and lunches, is estimated at 250€.

The course will develop and extend the material already presented during the Intensive Course held in Valencia (September 2011).

The following topics will be discussed:

  • ·         The use of force fields
  • ·         Simulation methods
  • ·         Quantum Monte Carlo techniques
  • ·         The addition of dispersion effects to DFT
  • ·         An approximation to DFT known as DFTB ("tight binding")
  • ·         The use of localized orbitals in explicitly-correlated calculations.

 

Students who wish to participate in the course should send their name and email address to C. Marsden:

                   marsden@irsamc.ups-tlse.fr

Further information about the timetable, registration, payment and accommodation will be available shortly.