REHAK-DISSERTATION-2021.pdf (26.43 MB)
Molecular Dynamics Simulations of Material Assembly, Growth, and Transport
thesisposted 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.
Degree GrantorUniversity of Illinois at Chicago
Degree namePhD, Doctor of Philosophy
Committee MemberGazit, Ehud Hu, Ying S Glusac, Ksenija Lorieau, Justin
Submitted dateMay 2021