REHAK-DISSERTATION-2021.pdf (26.43 MB)

Molecular Dynamics Simulations of Material Assembly, Growth, and Transport

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thesis
posted on 01.05.2021, 00:00 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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