MSSC2013 School Programme

Registration is scheduled on Sunday, September 1st at 15.00
at the University Guest House "Olimpia"
(Lungo Dora Siena 104)

 

Sunday 1st University Guest House "Olimpia" (Lungo Dora Siena 104)
   
15.00 - 16.30 Registration
   
16.30 - 16.45 Opening remarks
16.45 - 17.15 CRYSTAL13 and CRYSCOR13: features overview (R. Dovesi)
17.15 - 18.00 Participants self-introduction (one-slide/one-minute presentation)
   
18.00 Welcome Party

 

Morning Sessions - Aula Avogadro, via P. Giuria 7 (Chemistry Department)

  Monday 2nd Tuesday 3rd Wednesday 4th
Thursday 5th
9.00 Climbing the Jacob's ladder for solids

B. Civalleri 

A combinatorial approach to solid solutions: Strategies and case studies

P. D'Arco

Vibrational frequencies in solids

K. Doll

How to Use a Quantum Chemistry Code over 100,000 CPUs

E. Aprà

9.40 Consistent Gaussian Basis Sets for Solid-State Calculations

M. Peintinger

Elastic, piezoelectric and photoelastic properties of solids

E. Albanese

Simulation of IR/RAMAN spectra

L. Maschio

CRYSTAL in parallel: replicated and distributed (MPP) data

R. Orlando

10.20 Coffee Break Coffee Break Coffee Break Coffee Break
10.40 Low dimensionality periodic systems: models and strategies

M. Causà

High-order dielectric properties

V. Lacivita

Phonon dispersion and thermodynamics

M. Ferrabone

Post-HF techniques and the CRYSCOR project

S. Casassa

11.20 Low dimensionality periodic systems: examples and applications

A.M. Ferrari

Frequency dependent dielectric properties (I) (II)

M. Rerat

Nuclear motions effects on the density matrix of crystals

A. Erba

CRYSCOR: case studies and beyond

M. Lorenz

12.00 Transition state optimization in periodic systems with quadratic methods and related strategies

C.M. Zicovich-Wilson

Vibrational contribution to dielectric response properties

B. Kirtman

Phonon symmetry and phase transitions in BaTiO3

R. Evarestov

Charge density topological analysis in CRYSTAL

C. Gatti

 

Afternoon Sessions - Computer Room, Via Giuria 1 (Physics Department)

Advanced tutorials

  Monday 2nd Tuesday 3rd Wednesday 4th Thursday 5th
14.00 - 16.00 Exploring Crystal Structure, Symmetry, and Energetics with Jmol (B. Hanson)

Special symmetries: helices, nanotubes & fullerenes

Dielectric properties Vibrations in solids Maximum Probability Domains in Crystals (M. Causà)

TOPOND Tutorial

  Break Break   Break
16.15 - 18.00 How to model low dimensionality periodic systems Elastic and Piezoelectric properties 16.00 ...

Poster session

CRYSCOR Tutorial

 

Social events

  Monday 2nd Tuesday 3rd Wednesday 4th Thursday 5th
      18.00
Wine tasting and refreshments

On September 4th, at 18 o'clock in the Aula Magna of the Department of Chemistry, there will be a social event with wine tasting and refreshments.
The event is organized in collaboration with the Regional wine cellar of the Wines of the Province of Torino (Enoteca Regionale dei Vini della Provincia di Torino, Caluso): Enoteca Regionale di Caluso

Roberto Pericci (sommelier) will present a selection of wines from the oenological selection of the Torino Chamber of commerce