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Full-Text Articles in Nanoscience and Nanotechnology

Function And Dissipation In Finite State Automata - From Computing To Intelligence And Back, Natesh Ganesh Oct 2019

Function And Dissipation In Finite State Automata - From Computing To Intelligence And Back, Natesh Ganesh

Doctoral Dissertations

Society has benefited from the technological revolution and the tremendous growth in computing powered by Moore's law. However, we are fast approaching the ultimate physical limits in terms of both device sizes and the associated energy dissipation. It is important to characterize these limits in a physically grounded and implementation-agnostic manner, in order to capture the fundamental energy dissipation costs associated with performing computing operations with classical information in nano-scale quantum systems. It is also necessary to identify and understand the effect of quantum in-distinguishability, noise, and device variability on these dissipation limits. Identifying these parameters is crucial to ...


Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn Oct 2018

Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn

Doctoral Dissertations

Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of ...


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

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 ...


An Annotated Corpus With Nanomedicine And Pharmacokinetic Parameters, Nastassja Lewinski, Ivan Jimenez, Bridget Mcinnes Jan 2017

An Annotated Corpus With Nanomedicine And Pharmacokinetic Parameters, Nastassja Lewinski, Ivan Jimenez, Bridget Mcinnes

Chemical and Life Science Engineering Publications

A vast amount of data on nanomedicines is being generated and published, and natural language processing (NLP) approaches can automate the extraction of unstructured text-based data. Annotated corpora are a key resource for NLP and information extraction methods which employ machine learning. Although corpora are available for pharmaceuticals, resources for nanomedicines and nanotechnology are still limited. To foster nanotechnology text mining (NanoNLP) efforts, we have constructed a corpus of annotated drug product inserts taken from the US Food and Drug Administration’s Drugs@FDA online database. In this work, we present the development of the Engineered Nanomedicine Database corpus to ...


Generalizing The Quantum Dot Lab Towards Arbitrary Shapes And Compositions, Matthew A. Bliss, Prasad Sarangapani, James Fonseca, Gerhard Klimeck Aug 2016

Generalizing The Quantum Dot Lab Towards Arbitrary Shapes And Compositions, Matthew A. Bliss, Prasad Sarangapani, James Fonseca, Gerhard Klimeck

The Summer Undergraduate Research Fellowship (SURF) Symposium

As applications in nanotechnology reach the scale of countable atoms, computer simulation has become a necessity in the understanding of new devices, such as quantum dots. To understand the various optoelectronic properties of these nanoparticles, the Quantum Dot Lab (QDL) has been created and powered by NEMO5 to simulate on multi-scale, multi-physics bases. QDL is easy to use by offering choices of different QD geometries such as shapes and sizes to the users from a predefined menu. The simplicity of use, however, limits the simulation of general QD shapes and compositions. A method to import generic strained crystalline and amorphous ...


Acceleration Of Ddscat Computation By Parallelization On A Supercomputer, Manoj V. Seeram May 2016

Acceleration Of Ddscat Computation By Parallelization On A Supercomputer, Manoj V. Seeram

Chemical Engineering Undergraduate Honors Theses

The DDSCAT software is enabled for use of MPI or OpenMP to distribute calculation of different particle orientations amongst multiple processors on a high performance system. Run times for these simulations have been tested to take hours or days however and simulating varying orientations is not always necessary. If a simulation with only one particle orientation is submitted, DDSCAT could still potentially parallelize the simulation by wavelength calculations but it is unknown if this is the case. In this paper, we will be (i) quantifying the reduction in computation time that MPI provides relative to an equivalent MPI disabled simulation ...


Nanoscale Frictional Properties Of Nickel With One-Dimensional And Two-Dimensional Materials, Timothy K. Schlenger May 2016

Nanoscale Frictional Properties Of Nickel With One-Dimensional And Two-Dimensional Materials, Timothy K. Schlenger

Mechanical Engineering Undergraduate Honors Theses

When looking at the nanoscale, material interface interactions have been observed to exhibit particularly interesting properties. Our research looks into various combinations of carbyne and graphene atop a nickel block to look into the interface friction properties between them. Both the carbyne and graphene are tested using steered molecular dynamics (SMD) in sheering and peeling directions along the surface of the nickel block. These tests are then analyzed by comparing the magnitude of the acting force versus the displacement of the carbon allotrope sample across the nickel block. It is found that as the width of a carbon allotrope sample ...


Direct Solutions To Perceptual Organization Problems, Ravi Kumar Panchumarthy Nov 2015

Direct Solutions To Perceptual Organization Problems, Ravi Kumar Panchumarthy

Graduate Theses and Dissertations

Quadratic optimization problems arise in various real world application domains including engineering design, microeconomics, genetic algorithms, integrated circuit chip design, probabilistic graphical models and computer vision. In particular, there are many problems in computer vision that require binary quadratic optimization such as motion segmentation, correspondences, figure-ground segmentation, clustering, grouping, subgraph matching, and digital matting. The objective of an optimization algorithm can be related to the state of a physical system, where the goal is to bring the initial arbitrary state of the system to a state with minimum possible energy. By recognizing that the Hamiltonian of nanomagnets can be expressed ...


Energy Harvesting-Aware Design For Wireless Nanonetworks, Shahram Mohrehkesh Jul 2015

Energy Harvesting-Aware Design For Wireless Nanonetworks, Shahram Mohrehkesh

Computer Science Theses & Dissertations

Nanotechnology advancement promises to enable a new era of computing and communication devices by shifting micro scale chip design to nano scale chip design. Nanonetworks are envisioned as artifacts of nanotechnology in the domain of networking and communication. These networks will consist of nodes of nanometer to micrometer in size, with a communication range up to 1 meter. These nodes could be used in various biomedical, industrial, and environmental monitoring applications, where a nanoscale level of sensing, monitoring, control and communication is required. The special characteristics of nanonetworks require the revisiting of network design. More specifically, nanoscale limitations, new paradigms ...


Bayesian Calibration Tool, Sveinn Palsson, Martin Hunt, Alejandro Strachan Aug 2014

Bayesian Calibration Tool, Sveinn Palsson, Martin Hunt, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Fitting a model to data is common practice in many fields of science. The models may contain unknown parameters and often, the goal is to obtain good estimates of them. A variety of methods have been developed for this purpose. They often differ in complexity, efficiency and accuracy and some may have very limited applications. Bayesian inference methods have recently become popular for the purpose of calibrating model's parameters. The way they treat unknown quantities is completely different from any classical methods. Even though the unknown quantity is a constant, it is treated as a random variable and the ...


Granular Matter: Microstructural Evolution And Mechanical Response, Aashish Ghimire, Ishan Srivastava, Timothy S. Fisher Aug 2014

Granular Matter: Microstructural Evolution And Mechanical Response, Aashish Ghimire, Ishan Srivastava, Timothy S. Fisher

The Summer Undergraduate Research Fellowship (SURF) Symposium

Heterogeneous (nano) composites, manufactured by the densification of variously sized grains, represent an important and ubiquitous class of technologically relevant materials. Typical grain sizes in such materials range from macroscopic to a few nanometers. The morphology exhibited by such disordered materials is complex and intricately connected with its thermal and electrical transport properties. It is important to quantify the geometric features of these materials and simulate the fabrication process. Additionally, granular materials exhibit complex structural and mechanical properties that crucially govern their reliability during industrial use. In this work, we simulate the densification of soft deformable grains from a low-density ...


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

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

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 ...


Cfp: Handbook Of Research On Technological Applications And Innovation For Economic Development, Deogratias Harorimana Mr Mar 2013

Cfp: Handbook Of Research On Technological Applications And Innovation For Economic Development, Deogratias Harorimana Mr

Dr Deogratias Harorimana

The innovation in the 21st century goes significantly beyond the high-tech picture driven by small or large industry clusters in a specific region-typically Silicon Valley and M4Corridor. The future of innovation will lie within knowledge management and seamless technological applications. These will be supported by planned funding strategies, possibly with clients as drivers of the innovation. This view seems to be supported by the UK government “Technology and Innovation Futures” (2011); the USA government (2011), study into which leading scholars concede that the future innovation and technological applications for economic growth will include products and processes, improvements in areas such ...


Ict For Poverty Alleviation In Pacific Island Nations: Study Of Icts4d In Fiji, Deogratias Harorimana, Opeti Rokotuinivono, Emali Sewale, Fane Salaiwai, Marica Naulu, Evangelin Roy Dec 2012

Ict For Poverty Alleviation In Pacific Island Nations: Study Of Icts4d In Fiji, Deogratias Harorimana, Opeti Rokotuinivono, Emali Sewale, Fane Salaiwai, Marica Naulu, Evangelin Roy

Dr Deogratias Harorimana

ICT for Poverty Alleviation in Pacific Island Nations: Study of ICTs4D in Fiji There has been a vague and little knowledge on the role or potential of Information and Communications Technologies (ICTs) in relation to addressing poverty in Fiji. This may be probably due to the newness of the technology in the South Pacific Region as a whole but also probably due to the fact that only 9.7% of the current Fiji 931,000 populations are internet users (ITC Figures 2011). This paper reports on finding how ICTs is contributing towards poverty alleviation in Fiji. On the basis of ...


Communications And Energy-Harvesting In Nanosensor Networks, Michele C. Weigle Nov 2012

Communications And Energy-Harvesting In Nanosensor Networks, Michele C. Weigle

Computer Science Presentations

PDF of a powerpoint presentation from the National Science Foundation (NSF) Workshop on Biological Computations and Communications in Boston, Massachusetts, November 9, 2012. Also available on Slideshare.


How Can Pacific Island Economies Benefits From The Advent Of Ict’S – Review Of Best Practices In Education, Deogratias Harorimana Sr Oct 2012

How Can Pacific Island Economies Benefits From The Advent Of Ict’S – Review Of Best Practices In Education, Deogratias Harorimana Sr

Dr Deogratias Harorimana

This paper explored implementation and use of information and communication technologies in Fiji, in order to gain insight into recent government initiatives to introduce computers and other ICTs for the community of Fiji. The focus of this paper in that it provided the framework for an in-depth exploration of e-learning centers around the country and the benefits from the advent of ICT’s in e-learning community centers in Fiji. Areas concentrated on are outcome of ICT’s in formal education to students and community as a whole in areas of agriculture, health, environment and infrastructure etc. The research sought understanding ...


Technical Assistance, Knowledge Gatekeeping And Indigenous Knowledge: Re-Thinking The International Development Practice, Deogratias Harorimana Sr Sep 2012

Technical Assistance, Knowledge Gatekeeping And Indigenous Knowledge: Re-Thinking The International Development Practice, Deogratias Harorimana Sr

Dr Deogratias Harorimana

This paper presents results from a multi-disciplinary conceptual analysis of development theory and practice. It reviews issues raised and proposes a shift in the epistemology of possession towards an epistemology of practice which is guided by the following aspects (1) The consideration of the learning culture of parties involved, (2) the ability and willingness for decontextualisation of the knowledge by the source and (3) the ability to embedded it by recipients (embededness ), (4) the importance that is attached to knowledge of the host country as reflected through (5) Similarity in culture, values, understanding of context and knowledge bases; (6) the ...


Mis Mock Questions (Why Mis In Corporate Turbulant Times), Deogratias Harorimana Sr May 2012

Mis Mock Questions (Why Mis In Corporate Turbulant Times), Deogratias Harorimana Sr

Dr Deogratias Harorimana

With corporate strategy becoming more and more dependent on speed,focus, innovation and strategy, what can MIS do? and what should be MIS role ? what is the relationship between Corporate Strategy KPI and MIS? These questions are answered in an MBA Management Information Systems at USP. This programme is delivered across the entire Pacific region through the Graduate School of Business. It is my privilege to post here few questions that students who attended one of the course in Nadi, at Tanoa International Hotel had to answer in one of the Quiz test.


Economic Benefits Analysis Of Mining Industries In Png And Solomon Islands, Deogratias Harorimana Sr Apr 2012

Economic Benefits Analysis Of Mining Industries In Png And Solomon Islands, Deogratias Harorimana Sr

Dr Deogratias Harorimana

This paper discusses mining and mineral operations in the two countries Papua New Guinea and Solomon Islands with regards to its contribution to the overall Gross domestic Product and the economic development of each country.

Our finding shows that mining is an excellent contributor to economic growth and development as in the case of Papua New Guinea.Tax revenue from PNG Mining industries contributions to the PNG fiscal basket remains strong and growing steadily. The mining and minerals tax revenue remains an important contributor to the government fiscal budget over the last 10 years. This has been a strong contributor ...


Understanding Economics Of The Pacific Island Nations: Issues And Cases, Deogratias Harorimana Sr Apr 2012

Understanding Economics Of The Pacific Island Nations: Issues And Cases, Deogratias Harorimana Sr

Dr Deogratias Harorimana

No abstract provided.


Job Creation In The Tuna Industry Of The Solomon Islands- A Tentative Strategic Analysis, Deogratias Harorimana Sr Apr 2012

Job Creation In The Tuna Industry Of The Solomon Islands- A Tentative Strategic Analysis, Deogratias Harorimana Sr

Dr Deogratias Harorimana

The principal objective of this paper is to review the current Tuna Fisheries Policies in the Solomon Islands with a view to proposing strategies that will maximize Job creation while at the same time address the issues that currently exist in this sector. Although the Tuna Industry’s contribution to GDP is quite significant, the Solomon Island Government (SIG) gets little or close to nothing out of it in the form of revenue and Job creation with the majority of vessels being foreign owned and fishing license fees amongst the lowest in the Pacific. SOLTAI which is partly owned by ...


Review Of Solomon Islands’ Policies And Programs To Promote Private Sector Development And Small Business, Deogratias Harorimana Sr Apr 2012

Review Of Solomon Islands’ Policies And Programs To Promote Private Sector Development And Small Business, Deogratias Harorimana Sr

Dr Deogratias Harorimana

Solomon Islands is a nation with vast resources with huge potential to excel economically if proper business atmosphere is provided for both private sector development and small and medium enterprises entrepreneurship. Conducive policies that, not only, a mere statement but is broken down to workable strategies with quantitative expected outcome with a strong mentoring mechanism is very important. Previous governments have continuously ignored the importance of having small business policies until lately when NCRA government came up with a set of policies that strategically addresses the significance of small and medium businesses. However, notwithstanding foreign investment is very important in ...


Social Networks And Web2.0 Among Youth: Lessons For Pacific Island Nations, Deogratias Harorimana Sr Feb 2012

Social Networks And Web2.0 Among Youth: Lessons For Pacific Island Nations, Deogratias Harorimana Sr

Dr Deogratias Harorimana

This study is on social networks and web2 among youths and the lessons for Pacific Island nation. This study defines commonly used social networking sites used by the Pacific youths, average time spent, reasons behind the use of social networking sites and how social networking sites can be used as a development tool for Pacific Island nation. It was found that the popularity of social networking amongst youths in Pacific Island Countries is fast growing, increasing more than three folds year on year in the last 3years. Social Networks are a vital part of life for PIC youths, where, now ...


Using The Case Study Methodology In Teaching, Deogratias Harorimana Mr Jan 2012

Using The Case Study Methodology In Teaching, Deogratias Harorimana Mr

Dr Deogratias Harorimana

This paper reviews the Why, How, to use the Case Study Methods in MBA teaching. The Presentation was prepared for and delivered as part of MBA students induction Programme in the Graduate School of Business.


The Gatekeeper And The Knowledge Environment-Who They Are, How They Work Empirical Evidences From High-Tech Manufacturing And R&D Firms, Deogratias Harorimana Jan 2012

The Gatekeeper And The Knowledge Environment-Who They Are, How They Work Empirical Evidences From High-Tech Manufacturing And R&D Firms, Deogratias Harorimana

Dr Deogratias Harorimana

Purpose of the Study: The purpose of this study was to critically study the role of the Knowledge Gatekeeper within the manufacturing and high tech selected case studies and by explaining who they are, how they work and identify and analyse the barriers to knowledge creation and knowledge sharing. Methodology: The research was guided by an inductive approach with a multiple case study strategy. Research instruments included a questionnaire and interviews from respectively 105 and 40 respondents. Findings: In the African Manufacturing context, and in absence of sophisticated technologies and highly qualified personnel, technical knowledge can be obtained from organizational ...


Review Of Economics Of Manamagement Information Systems, Deogratias Harorimana Sr Jan 2012

Review Of Economics Of Manamagement Information Systems, Deogratias Harorimana Sr

Dr Deogratias Harorimana

“Information technology is the "digital nervous system" of any business.” (Bill Gates, Chairman, Microsoft Corporation, 1997)

The way business is conducted in this era is phenomenal. Almost everything is a “click” away. The customers are satisfied, businesses are satisfied, Government is satisfied and the entire globe is gratified by the work of information technology (IT). This research discloses the several returns and shortcomings of IT, and how businesses use IT to realize their strategic goals.

The report presents discussion on two organisations, Dell Computer Corporation and Sydney Waters, which had a prosperous and disastrous implementation of IT systems respectively. The ...


Using Mis To Deliver Essential Services:Case Of Healthcare Provision Support In Fiji, Deogratias Harorimana Sr Jan 2012

Using Mis To Deliver Essential Services:Case Of Healthcare Provision Support In Fiji, Deogratias Harorimana Sr

Dr Deogratias Harorimana

In comparison to other Pacific Island countries, Fiji’s health system is the most developed amongst Pacific Island countries (UNDP 2006) and has undergone significant change in the last decade. From 1999 – 2009, AusAid, a major donor to Fiji’s health system, has supported two stage health sector improvement programs. The first stage (1999 - 2003) was a management reform program designed to improve decision making by supporting a new model of decentralized management. The second phase (2004 – 2009) looked at improving governance, health systems performance, clinical outcomes and supported public health and infrastructure initiatives at the divisional level (WHO WPRO ...


Impact Of Crm Systems On Organisational Performance: A Case Study Of Anz Bank, Deogratias Harorimana Sr Jan 2012

Impact Of Crm Systems On Organisational Performance: A Case Study Of Anz Bank, Deogratias Harorimana Sr

Dr Deogratias Harorimana

This paper reports case study results analysis of the ANZ Bank in the Pacific Region. The case study results show that ANZ has a well-established CRM system supporting its marketing and sales activities, but equally the results indicate mixed scenarios. A positive relationship between CRM to performance was established. That is, it has a positive contribution to the bank’s performance, both financial and non-financial. There is also negative feedback on the bank’s CRM system which illustrates that CRM system can also have negative consequences. CRM success is questionable from a stand-alone perspective. Although there are encouraging results from ...


A Review Of International Best Practice In E-Governmentsome Lessons For New Adopters, Deogratias Harorimana Sr Oct 2011

A Review Of International Best Practice In E-Governmentsome Lessons For New Adopters, Deogratias Harorimana Sr

Dr Deogratias Harorimana

Efficient bureaucratic processes as essential to attract and retain investment, as well as promote SME growth. The e_Gov is one of many ways emerging economies have used to streamline public service delivery and create a freindly and conducive atmosphere for business -both MNC and SMEs. This presentation provide an overview of some of the World's most recent case examples on the successful design-plan-implementation of eGov to build a strong basis to attract investment and deliver seamless essential services to Citizens.


A Critical Review Of The Effectiveness Of Fiscal And Monetary Policies In The Pacific Island Countries (Pics) Between 1990-2010, Deogratias Harorimana Mr Oct 2011

A Critical Review Of The Effectiveness Of Fiscal And Monetary Policies In The Pacific Island Countries (Pics) Between 1990-2010, Deogratias Harorimana Mr

Dr Deogratias Harorimana

The purpose of this paper is to critically assess the effectiveness of Fiscal and Monetary Policies in the South Pacific Island Countries. The paper tracks down the economic growth for the last 20 years between 1990-2010, and drawing from key fiscal and monetary policies in place during the time under consideration, as well as specific interventions in the region, we find that: 1) While the South Pacific Island Countries (SPICs) particularly the six major economies (Solomon Islands, Fiji, Vanuatu, PNG, Samoa, Tonga) pursued fiscal and monetary policies for promoting growth and diversification of their economies, their fiscal policies relied heavily ...