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Wavefunction methods for solid state matter (WFS-2025)


Preliminary schedule

  • Day 1
    • 12.00 - 13.00 Arrival and registration
    • 13.00 - 13.10 Opening
    • 13.10 - 14.00 Introduction to electronic structure theory (JJ)
    • 14.00 - 17.00 Symmetry and Crystallography (JJ), interrupted by coffee break (15.30-15.50)
    • 17.00 - 17.30 Semiempirical calculations with MOPAC (VV)
    • 17.30 - 18.30 Use of terminal tools in Quantum Chemistry (VV)
    • 18.30 - 19.00 Software installation
  • Day 2
    •   9.00 - 12.20 Periodic calculations with HF and DFT (DU), interrupted by coffee break (10.20-10.40)
    • 12.20 - 13.30 Lunch
    • 13.30 - 15.30 Periodic calculations: geometry optimization, band structures, density of states, vibrational spectra, interaction energies (DU)
    • 15.30 - 15.50 coffee break
    • 15.50 - 17.00 Embedded fragment approach (DU)
    • 17.00 - 18.00 Discussion
    • 18.00 - 19.00 Poster session
  • Day 3
    •   9.00 - 12.20 Electron correlation (VV), interrupted by coffee break (10.20-10.40)
    • 12.20 - 13.30 Lunch
    • 13.30 - 15.30 Embedded cluster approach (VV)
    • 15.30 - 15.50 coffee break
    • 15.50 - 17.00 Relativity, lanthanide chemistry (MK)
    • 17.00 - 19.00 Excursion
  • Day 4
    •   9.00 - 10.20 Calculation of electronic spectra (JJ,MK)
    • 10.20 - 10.40 Coffee break
    • 10.40 - 12.20 Discussion, Bring your own project/problem (All teachers)
    • 12.20 - 13.10 Lunch and departure