Training workshop Wavefunction methods for solids

Preliminary schedule

Day 1, 5/12
- 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, 6/12
- 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, 7/12
- 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, 8/12
- 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


Home Registration Venue Schedule Teachers Contact	Wavefunction methods for solid state matter (WFS-2023) Preliminary schedule Day 1, 5/12 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, 6/12 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, 7/12 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, 8/12 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