BACK NATO ASI Advances in the Computer Simulations of Liquid Crystals
Erice, ITALY, 11-21 June 1998.
ADVANCES IN THE COMPUTER SIMULATION OF LIQUID CRYSTALS
Preliminary Agenda (rev.3)
Wednesday, 10 June: Arrival. Thursday, 11 June: School begins.
| 1st Day (Thu, 11 June) | ||
| a.m. | G.R. Luckhurst | Overview of Liquid Crystals |
| C. Zannoni | Liquid Crystal Observables I. Static properties | |
| A. Gavezzotti | Intermolecular Potentials I. Fundamentals | |
| p.m. | M.P. Allen | Introductory Computer Simulations and Statistical Mechanics |
| M.P. Allen | Simple Models and Theories of Liquid Crystals | |
| A. Gavezzotti | Fitting Intermolecular Potentials to Empirical Models | |
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2nd Day (Fri, 12 June) |
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| a.m. | A. Gavezzotti | Intermolecular Potentials for Modeling some Simple Organic Crystals and Liquids |
| C. Zannoni | Liquid Crystal Observables II. Dynamics | |
| G. Jackson | Scale Onsager Theories for the Liquid Crystalline Phase Transitions of Simple Model Systems | |
| p.m. | D. Frenkel | Lyotropic Liquid Crystal Simulations I |
| D. Frenkel | Lyotropic Liquid Crystal Simulations II | |
| G.R. Luckhurst | Corner Potentials for Liquid Crystals based on S-function Expansion | |
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3rd Day (Sat, 13 June) |
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| a.m. | D. Frenkel | Free Energy and Location of Phase Transitions I |
| D. Frenkel | Free Energy and Location of Phase Transitions II | |
| A.Z. Panagiotopoulos | Gibbs Ensemble and Histogram Reweighting Monte Carlo Methods | |
| p.m. | H.N.W. Lekkerkerker | Theory and Experiment of Lyotropic Liquid Crystals I |
| H.N.W. Lekkerkerker | Theory and Experiment of Lyotropic Liquid Crystals II | |
| A.Z. Panagiotopoulos | Simulations of Phase Transitions in Model Amphiphile Systems | |
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4th Day (Sun, 14 June) |
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| a.m. | P. Pasini | Lattice Models I |
| C. Zannoni | Gay Berne Systems I. Uniaxial and Biaxial potentials. Simulations | |
| O.G. Mouritsen | Phase Transitions in Lyotropics as Models for Biomembranes | |
| p.m. | A.Z. Panagiotopoulos | Single-Chain Mean Field Theory and Applications to Liquid Crystal Phase Transitions |
| G. Jackson | Theories and Simulation of Mixtures of Liquid Crystalline Systems | |
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5th Day (Mon, 15 June) |
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| a.m. | M.P. Allen | Molecular Structure and Phase Behaviour in Systems based on Gay-Berne Particles. |
| H.N.W. Lekkerkerker | Theory and Experiment of Lyotropic Liquid crystals III | |
| H.N.W. Lekkerkerker | Theory and Experiment of Lyotropic Liquid crystals IV | |
| p.m. | G. Jackson | Simulation of Mesogenic Dipolar Hard Core Particles |
| M. Wilson | Introduction to Parallelization I | |
| J. Brickmann | Mixed Quantum Dynamics I | |
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6th Day (Tue, 16 June) |
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| a.m. | C. Zannoni | Gay Berne Systems II. Dipolar Effects and Systems Close to a Surface |
| G. Jackson | Theory and Simulation of Associating Liquid Crystals | |
| P. Procacci | Molecular Dynamics Simulation with Multiple Time Steps using the Reversible Reference System Propagator Algorithm (r-RESPA) | |
| p.m. | J. Brickmann | Mixed Quantum-Classical Dynamics II |
| S. Hess | Flow Properties and Structure of Anisotropic Fluids studied by Non Equilibrium Molecular Dynamics I | |
| G.R. Luckhurst | Simulations of Liquid Crystals with Quadrupolar Interactions | |
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7th Day (Wed, 17June) |
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| One day Break | Visit to the Archaeological Sites of Selinunte and Segesta | |
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8th Day (Thu, 18 June) |
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| a.m. | O.G. Mouritsen | Softness of Liquid-Crystalline Lipid Bilayers |
| O.G. Mouritsen | Fluctuations, Dynamic Heterogeneity, Entropic Repulsion and Membrane Function. | |
| S. Hess | Flow properties and Structure of Anisotropic Fluids studied by Non Equilibrium Molecular Dynamics II | |
| p.m. | Contributed papers- oral presentations | |
| Contributed papers- oral presentations | ||
| Contributed papers- oral presentations | ||
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9th Day (Fri, 19 June) |
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| a.m. | S. Hess | Flow Properties of other Complex Fluids: Polymeric Liquids, Ferrofluids etc... |
| M. Glaser | Issues and Strategies in Atomic-detail Simulation of Liquid Crystals | |
| M. Wilson | Atomistic Modelling of Liquid Crystal Phases | |
| p.m. | P. Procacci | r-RESPA Techniques for Classical Simulation of Extended Systems: Isobaric and Canonical Ensembles. |
| J. Brickmann | Atomic Detail Simulations of Molecular Crystals and Liquid Crystals | |
| M. Glaser | Atomistic Simulation of Smectics: One-Component Systems | |
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10th Day (Sat, 20 June) |
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| a.m. | M.P. Allen | Molecular Simulations and Large Scale Phenomena |
| N. Clark | Atomistic Simulation of Smectics: Mixtures and Freely Suspended Thin Films | |
| P. Pasini | Liquid Crystal Lattice Models II | |
| p.m. | N. Clark | Computer-aided Design of Liquid Crystals |
| M. Wilson | Parallel Molecular Dynamics Techniques for the Simulation of Anisotropic Systems I | |
| P. Procacci | Multiple Time Steps Schemes and Electrostatic Potential: Combination of r-RESPA and Smooth Particle Mesh Ewald Method for the Simulation of Biopolymers | |
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11th Day(Sun, 21 June) |
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| a.m. | G.R. Luckhurst | Computer Simulations of X-ray Scattering Patterns of Liquid Crystals |
| J. Brickmann | Computer Simulations of Amphiphilic Systems and their Interfaces | |
| M. Wilson | Parallel Molecular Dynamics Techniques for the Simulation of Anisotropic Systems II | |
| p.m. | Panel discussion | |
| Panel discussion | ||
| Panel discussion |