NATO ARW NO. 979722

 

Computational Methods for Polymers

and Liquid Crystalline Polymers

Erice (Italy) 16-22 July 2003

 

Schedule

July16,

 

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

Nonequilibrium molecular dynamics 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 melts and solutions: Polymer Dynamics and topological analysis

11.00 11.30

Coffee break and posters

11.30-12.20

G. Allegra

Polymer Internal Viscosity: Friction Against Surfaces

 

lunch break

 

 

 

16.00-16.50

S. umer

Polymer stabilized liquid crystals: some recent developments

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

 

 

8.15 8.45

M. Bates

Computer simulation of large flexible liquid crystal molecules

8.45 9.15

A. Soldera

Molecular Simulation of the Glass Transition in PMMA of Different Tacticities

9.15 9.45

F. Ganazzoli

Protein adsorption on a hydrophobic graphite surface

10.00 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 polymer 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

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 stiff 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