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A Multi-Scale Modeling Approach to Study Transport in Silicon Heterojunction Solar Cells
03 Nov 2015 | | Contributor(s):: Pradyumna Muralidharan, Dragica Vasileska, Stephen M. Goodnick, Stuart Bowden
IWCE 2015 presentation. Abstract and more information to be added at a later date.
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Atomistic Alloy Disorder in Nanostructures
26 Feb 2007 | | Contributor(s):: Gerhard Klimeck
Electronic structure and quantum transport simulations are typically performed in perfectly ordered semiconductor structures. Bands and modes are defined resulting in quantized conduction and discrete states. But what if the material is fundamentally disordered? What if the disorder is at the...
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Bandstructure in Nanoelectronics
01 Nov 2005 | | Contributor(s):: Gerhard Klimeck
This presentation will highlight, for nanoelectronic device examples, how the effective mass approximation breaks down and why the quantum mechanical nature of the atomically resolved material needs to be included in the device modeling. Atomistic bandstructure effects in resonant tunneling...
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Bio Composite Simulator
13 Oct 2011 | | Contributor(s):: Sebastian Lee, Pablo Daniel Zavattieri, Alejandro Strachan
Simulation mechanical response of bio composites using rigid particles
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Biology of COVID-19 Attack on Epithelial Cells, understood from a Modeling and Simulation Perspective
04 Feb 2021 | | Contributor(s):: Paul Macklin
n this session, we describe a community-driven effort to iteratively develop a multiscale, spatially-resolved open source model of SARS-CoV-2 dynamics and immune response in tissues.
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BNC Annual Research Review: An Introduction to PRISM and MEMS Simulation
04 Jun 2008 | | Contributor(s):: Jayathi Murthy
This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming year.
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BNC Annual Research Symposium: Nanoscale Energy Conversion
23 Apr 2007 | | Contributor(s):: Timothy S Fisher
This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming year.
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CompuCell3D v4 Main Tool
08 Jun 2020 | | Contributor(s):: Juliano Ferrari Gianlupi, T.J. Sego
Base tool for CompuCell3D version 4 and greater. Allows running any of the demos included with CC3D (/CompuCell3D_Demos/Demos)
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Computer Simulation of Nanoparticles, Viruses, and Electrical Power-Generating Bacteria
20 Mar 2007 | | Contributor(s):: Peter J. Ortoleva
Models of cells and nanometer-scale biosystems are presented that clarify their physico-chemical characteristics and allow for computer- aided design of therapeutic and nanotechnical devices. Multiscale techniques are used to obtain rigorous, coarse-grained equations for the migration and...
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Dualfoil.py: Porous Electrochemistry for Rechargeable Batteries
22 Aug 2015 | | Contributor(s):: Lucas Darby Robinson, R. Edwin García
Open Source Friendly Graphical User Interface for the classic dualfoil (Newman) model
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Engineering the Fiber-Matrix Interface in Carbon Nanotube Composites
23 Mar 2006 | | Contributor(s):: Sharon Pregler, Yanhong Hu, Susan Sinnott
Particle depositions on polymer and carbon substrates to induce surface chemical modification are a growing research topic in particle-surface interactions due to localized deposition energy and the high density of molecules impacting the surface. Previous simulations have shown that particle...
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FDNS21: Epitaxial Growth of Transition Metal Dichalcogenides – The Path to Wafer-scale Single Crystal Monolayers
19 May 2021 | | Contributor(s):: Joan Redwing
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First Principles-based Atomistic and Mesoscale Modeling of Materials
01 Dec 2005 | | Contributor(s):: Alejandro Strachan
This tutorial will describe some of the most powerful and widely used techniques for materials modeling including i) first principles quantum mechanics (QM), ii) large-scale molecular dynamics (MD) simulations and iii) mesoscale modeling, together with the strategies to bridge between them. These...
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First Principles-Based Modeling of materials: Towards Computational Materials Design
20 Apr 2006 | | Contributor(s):: Alejandro Strachan
Molecular dynamics (MD) simulations with accurate, first principles-based interatomic potentials is a powerful tool to uncover and characterize the molecular-level mechanisms that govern the chemical, mechanical and optical properties of materials. Such fundamental understanding is critical to...
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FocalPointPlasticity Plugin Demo
12 Apr 2021 | | Contributor(s):: Juliano Ferrari Gianlupi, T.J. Sego
This simple demo shows basic functionality of FocalPointPlasticity and how link rigidity affects cell behaviors.
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Hierarchical Physical Models for Analysis of Electrostatic Nanoelectromechanical Systems (NEMS)
05 Jan 2006 | | Contributor(s):: Narayan Aluru
This talk will introduce hierarchical physical models and efficient computational techniques for coupled analysis of electrical, mechanical and van der Waals energy domains encountered in Nanoelectromechanical Systems (NEMS). Numerical results will be presented for several silicon...
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HPC and Visualization for multimillion atom simulations
21 Jun 2005 | | Contributor(s):: Gerhard Klimeck
This presentation gives an overview of the HPC and visulaization efforts involving multi-million atom simulations for the June 2005 NSF site visit to the Network for Computational Nanotechnology.
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Illinois 2007 Nano-Bio Workshop with nanoHUB Summer School and User Forum
27 Apr 2007 | | Contributor(s):: Narayan Aluru, Eric Jakobsson, Umberto Ravaioli, Dave Mattson, Gerhard Klimeck, Michael McLennan
This summer, on the campus of the University of Illinois, the NCDBN and NCN@UIUC will hold a scientific meeting on "Experimental and Computational Approaches to Understanding Membrane Assemblies and Permeation," a nanoHUB user forum, and a summer school on "Multiscale Theory, Simulation, and...
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Illinois CNST Annual Nanotechnology Workshop 2010 Lecture 11: A Multiscale Computational Framework for Modeling of Nanomaterials
11 Mar 2011 | | Contributor(s):: Arif Masud
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Ionic Selectivity in Channels: complex biology created by the balance of simple physics
05 Jun 2008 | | Contributor(s):: Bob Eisenberg
An important class of biological molecules—proteins called ionic channels—conduct ions (like Na+ , K+ , Ca2+ , and Cl− ) through a narrow tunnel of fixed charge (‘doping’). Ionic channels control the movement of electric charge and current across biological membranes...