Provisional program:
26 September 2021 (Morning Sessions)
- 08:00 - 09:00
Reception
- 09:00 - 09:30
Official Opening Ceremony: Inauguration By Rector of Blida University
TOPIC 01
TOPIC 02
TOPIC 03
- 09:30 - 10:00
Plenary 01: Professor Roberto Dovesi
- “ The Superexchange mechanism in crystalline compounds. The case of KMF3 (M=Mn, Fe, Co, Ni) perovskites ”
- 10:15 - 11:00
Plenary 02: Professor Robert M. Hanson
- “Novel Visualization of Crystal Structure and Energetics ”
- 11:15 - 11:45
Plenary 03: Professor Michel Rérat
- “ Ab initio calculation of chirality in crystals ”
- 12:00 - 12:30
Coffee Break
- 12:15 - 12:45
O 01:
- 13:00 - 13:15
O 02:
- 13:30 - 14:30
Lunch
26 September 2021 (Afternoon Sessions)
TOPIC 01
TOPIC 02
TOPIC 03
- 14:45 - 15:15
Plenary 04: Professor Frédéric Labat
- “ Continuum solvation for finite and infinite periodic systems in CRYSTAL ”
- 15:30 - 16:00
Plenary 05: Professor Bennacer Badis
- “ Lattice dynamics and thermal properties of materials ”
- 16:15 - 16:30
Coffee Break
- 16:30 - 18:00
Session e-poster
Closing the first day of the conference
27 September 2021 (Morning Sessions)
TOPIC 01
TOPIC 02
TOPIC 03
- 09:00 - 09:30
Plenary 06: Professor Silvia Maria Casassa:
- “ Crystal17: a modern tool for ab initio solid state chemistry & physics ”
- 09:45 - 10:15
Plenary 07: Professor Andréas Savin
- “ Looking at benchmarks for density functional calculations ”
- 10:30 - 11:00
Plenary 08: Professor Maddalina D’Amore
- “ Understanding structure and properties of MgCl2 supported Ziegler-Natta nanoclusters by DFT, spectroscopy and machine learning. How modelling uncovers the origin of industrial catalysis ”
- 11:15 - 11:45
Coffee Break
- 12:00 - 12:15
O 03:
- 12:30 - 12:45
O 04:
- 13:00 - 13:15
O 05:
- 13:30 - 14:30
Lunch
27 September 2021 (Afternoon Sessions)
TOPIC 03
- 14:45 - 15:15
Plenary 09: Professor Bouhafs Bachir
- “ Magnetism and half-metallicity of solids from the spin polarization of p orbitals ”
- 15:30 - 16:00
Plenary 10: Professor Baadji Nadjib
- “ ENHANCED FIGURE OF MERIT IN MOLECULAR JUNCTIONS ”
- 16:10 - 16:25
O 06:
- 16:30 - 16:25
O 07:
- 16:50 - 17:05
O 08:
- 17:05 - 18:30
Session e-poster
Closing the Second day of the conference
28 September 2021 (Morning Sessions)
TOPIC 04
- 09:00 - 09:30
Plenary 11: Professor Rudolf Shäfer
- “ Intensity-based wide-field magneto-optical microscopy ”
- 09:45 - 10:15
Plenary 12: Professor Jana K. Vejpravova
- “ Boosting the performance of magnetic nanoparticles: magnetic field-assisted assembly and magnetic functionalization ”
- 10:30 - 11:00
Plenary 13: Professor Martin Kalbac
- “ Heterostructures Based on Functionalized Graphene and Free-standing Graphene Membranes ”
- 11:30 - 11:45
O 09:
- 12:00 - 12:15
O 10:
- 12:30 - 12:45
O 11:
- 13:00 - 13:15
O 12:
Closing Ceremony
- 14:00 - 15:00