University of Illinois Chicago
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Molecular Dynamics Simulations of Material Assembly, Growth, and Transport

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posted on 2021-05-01, 00:00 authored by Pavel Rehak
This dissertation examines material self-assembly, growth, and transport of supramolecular structures using atomistic simulations. Applications can be found in biomedical and material assemblies. In biomedical assemblies we study the self-assembly and growth of simple metabolites and then peptides. We examine self-assembly of systems for material systems, such as supramolecular nanotubes, atomically precise nanoparticles, hybrid biomolecular crystals with low dimensional nanosurfaces, and metal-organic cages. We study nanofluidics, such as the pressure of water encased in graphene liquid cells and power generation through osmotic diffusion of ionic solution through boron-nitride nanotubes.

History

Advisor

Kral, Petr

Chair

Kral, Petr

Department

Chemistry

Degree Grantor

University of Illinois at Chicago

Degree Level

  • Doctoral

Degree name

PhD, Doctor of Philosophy

Committee Member

Gazit, Ehud Hu, Ying S Glusac, Ksenija Lorieau, Justin

Submitted date

May 2021

Thesis type

application/pdf

Language

  • en

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