NATO ARW NO. 979722

 

COMPUTATIONAL  METHODS  FOR POLYMERS

AND LIQUID CRYSTALLINE POLYMERS

 

A NATO Advanced Research Workshop

 

Erice (TP) July 16 - 22, 2003

 

 

Directors: P. Pasini, S. Žumer

 

 

July 16

 

Afternoon:  Arrival

 

21.15:  Welcome Reception  at the Marsala Lecture Hall (S. Rocco)

 

 

July 17

 

 

 

 

9.00 – 9.20

                    

 

Welcome

9.20 – 10.10

K. Kremer

Simulations of polymers: link between different scales, energy entropy interplay

10.20 – 11.10

C. Zannoni

Computer simulations of some liquid crystal and polymer liquid crystal models

11.20 – 11.50

 

Coffee Break and Posters

11.50 – 12.40

J. Clarke
Mesoscopic modelling of polymers and liquid crystals

 

 

 

Lunch Break

 

16.00 – 16.50

W. Paul

Some things we can learn from chemically realistic polymer melt simulations.

17.00 – 17.50

M. Vacatello

Monte Carlo simulations of liquids of mesogenic oligomers

18.00 – 18.20

 

Coffee Break and Posters

18.20 – 19.10

S. Hess

Non equilibrium molecular dynamics (NEMD) studies of the flow properties of polymeric melts

 

 

July 18

 

 

 

 

9.00 – 9.50

A. Khokhlov

Sequence design in functional copolymers: computer simulations.

10.00 – 10.50

K. Kremer

Entangled polymer melts and solutions

11.00 – 11.30

 

Coffee Break and Posters

11.30 – 12.20

G. Allegra
Polymer Internal Viscosity: Friction Against a hard Surface

 

 

 

Lunch Break

 

16.00 – 16.50

S. Žumer

Polymer Stabilized Liquid Crystals: Simulation of Physical Properties

17.00 – 17.50

O. Guzman

Advanced Monte Carlo simulation methods for colloid-polymer mixtures

18.00 – 18.20

 

Coffee Break and Posters

18.20 – 19.10

A. Polimeno

Computational approaches to coarse-graining methods for the description of collective dynamics in nematics and nematic polymers

 

 

July 19

 

 

 

 

8.30 – 9.00

M. Bates

Computer simulation of large flexible liquid crystal molecules

9.00 – 9.30

A. Soldera

Molecular simulation of the glass transition in PMMA of different tacticities

9.30 – 10.00

F. Ganazzoli

Protein adsorption on a hydrophobic graphite surface

10.15 – 19.00

 

 

Excursion to Selinunte and Segesta

 

 

July 20

 

 

 

 

9.00 – 9.50

M. Vacatello

Molecular arrangements in polymer-nanofiller systems

10.00 – 10.50

M. Wilson

Computer simulations of liquid crystal polymers and dendrimers

11.00 – 11.30

 

Coffee Break and Posters

11.30 – 12.20

S. Hess
Regular and chaotic rheological behavior of tumbling polymeric liquid crystals

 

 

 

Lunch Break

 

16.00 – 16.50

W. Paul

Monte Carlo simulations of semiflexible polymers: from single chains to  nematic melts

17.00 – 17.50

A. Khokhlov

intramolecular ordering in copolymer globules.

18.00 – 18.20

 

Coffee Break and Posters

18.20 – 19.10

O. Guzman

Multiscale simulation of liquid crystals

20.30

 

 

SOCIAL DINNER

 

 

 

July 21

 

 

 

 

9.00 – 9.50

 J. Clarke
Simulation of phase transitions in polymer liquid crystals

10.00 – 10.50

C. Zannoni

Molecular and atomistic simulations of  liquid crystals: what can be achieved now?

11.00 – 11.30

 

Coffee Break and Posters

11.30 – 12.20

M. Wilson

Parallel computer simulation techniques for the study of macromolecules

 

 

 

Lunch Break

 

15.45 – 16.35

S. Hess

Rotation and deformation of polymers in solutions subjected to a shear flow

16.45 – 17.35

G. Allegra

Polymer-mediated adhesion, a statistical approach

17.45 – 18.05

 

Coffee Break and Posters

18.05 – 18.35

J.I.Ilnytskyi

Computer simulations of the dendritic molecules with the aid of configurational biased Monte Carlo

 

18.35 – 19.05

P. N. Vorontsov-Velyaminov

Entropic sampling of simple polymer models within Wang-Landau algorithm.

 

 

 

July 22

 

Departure