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Numerical Analysis and Scientific Computing

Graduate Theses and Dissertations

Applied sciences

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Full-Text Articles in Computer Sciences

Molecular Dynamics Simulations Of Dna-Functionalized Nanoparticle Building Blocks On Gpus, Tyler Landon Fochtman May 2017

Molecular Dynamics Simulations Of Dna-Functionalized Nanoparticle Building Blocks On Gpus, Tyler Landon Fochtman

Graduate Theses and Dissertations

This thesis discusses massively parallel molecular dynamics simulations of nBLOCKs using graphical processing units. nBLOCKs are nanoscale building blocks composed of gold nanoparticles functionalized with single-stranded DNA molecules. To explore greater simulation time scales we implement our nBLOCK computational model as an extension to the coarse grain molecular simulator oxDNA. oxDNA is parameterized to match the thermodynamics of DNA strand hybridization as well as the mechanics of single stranded DNA and double stranded DNA. In addition to an in-depth review of our implementation details we also provide results of the model validation and performance tests. These validation and performance tests …


Directed Percolation And The Abstract Tile Assembly Model, Tyler Garrett Moore May 2013

Directed Percolation And The Abstract Tile Assembly Model, Tyler Garrett Moore

Graduate Theses and Dissertations

Self-assembly is a process by which simple components build complex structures through local interactions. Directed percolation is a statistical physical model for describing competitive spreading processes on lattices. The author describes an algorithm which can transform a tile assembly system in the abstract Tile Assembly Model into a directed percolation problem, and then shows simulations of the aTAM which support this algorithm. The author also investigates two new constructs designed for Erik Winfree's abstract Tile Assembly Model called the NULL tile and temperature 1.5. These constructs aid the translation between self-assembly and directed percolation and may assist self-assembly researchers in …


A Domain Specific Model For Generating Etl Workflows From Business Intents, Wesley Deneke Aug 2012

A Domain Specific Model For Generating Etl Workflows From Business Intents, Wesley Deneke

Graduate Theses and Dissertations

Extract-Transform-Load (ETL) tools have provided organizations with the ability to build and maintain workflows (consisting of graphs of data transformation tasks) that can process the flood of digital data. Currently, however, the specification of ETL workflows is largely manual, human time intensive, and error prone. As these workflows become increasingly complex, the users that build and maintain them must retain an increasing amount of knowledge specific to how to produce solutions to business objectives using their domain's ETL workflow system. A program that can reduce the human time and expertise required to define such workflows, producing accurate ETL solutions with …