Computational Studies of Self-Assembly I | AIChE

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Computational Studies of Self-Assembly I

Chair(s)

Ashbaugh, H., Tulane University

Co-chair(s)

Striolo, A., The University of Oklahoma

This session seeks papers that explore the thermodynamics, structural and dynamical properties of self-assembled systems. Subjects of interest include, but are not limited to: colloidal forces driving assembly, hierarchical organization, structural transitions, phase behavior, and multi-scale models spanning molecular to mesoscopic length and time scales for assembly. The emphasis is on simulation and computational papers, but theoretical models and complementary experimental papers are also welcome.

Presentations

8:30 AM
(404a) Beyond Patterns to Mechanisms. Multiscale Molecular Simulations of Nanoparticles/block Copolymers Self-Assembled Bulk Nanocomposites
8:51 AM
(404b) Computer Simulation of Self-Assembly of Dipolar Colloid Particles for the Design of Stimuli-Responsive Materials
9:12 AM
(404c) Understanding the Self-Assembling Mechanisms of Model DNA-Linked Nanoparticles by Monte Carlo Simulations
9:33 AM
(404d) A Monte Carlo Analysis of DNA-Mediated Crystallization In Binary Systems of Colloidal Particles
9:54 AM
(404e) Controlling Polymorph Selection during Crystal Nucleation and Growth from Model Liquids
10:15 AM
(404f) Monte Carlo Simulations of Tetrominoes: Structural and Thermodynamic Properties of a Seven-Component on-Lattice Fluid Model
10:36 AM
(404g) Monte Carlo Analysis of Stress-Directed Assembly in Binary Thin Film Alloys

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