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IWCN 2021: Multiscale Modeling and Simulation of Advanced Photovoltaic Devices
Online Presentations | 14 Jul 2021 | Contributor(s):: Yongjie Zou, Reza Vatan Meidanshahi, Raghuraj Hathwar, Stephen M. Goodnick
The introduction of new materials, device concepts and nanotechnology-based solutions to achieve high efficiency and low cost in photovoltaic (PV) devices requires modeling and simulation well beyond the current state of the art. New materials and heterojunction interfaces require atomistic...
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FDNS21: Epitaxial Growth of Transition Metal Dichalcogenides – The Path to Wafer-scale Single Crystal Monolayers
Online Presentations | 20 May 2021 | Contributor(s):: Joan Redwing
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Biology of COVID-19 Attack on Epithelial Cells, understood from a Modeling and Simulation Perspective
Online Presentations | 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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Understanding COVID-19 Infection, Immune Response, and Drug Therapy through Multiscale, Multicellular Modeling and Simulation
Online Presentations | 10 Dec 2020 | Contributor(s):: T.J. Sego
This workshop presents an open-source Python- and XML-scripted multiscale modeling and simulation framework of an epithelial tissue infected by a virus, a simplified cellular immune response and viral and immune-induced tissue damage and shows how to use it to model basic patterns of infection...
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Multiscale Multicellular Modeling of Tissue Function and Disease using CompuCell3D
Online Presentations | 03 Jun 2020 | Contributor(s):: James A Glazier, Juliano Ferrari Gianlupi
Multiscale multicellular models combine representations of subcellular biological networks, cell behaviors, tissue level effects and whole body effects to describe tissue outcomes during development, homeostasis and disease. I will briefly introduce these simulation methodologies, the CompuCell3D...
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Multiscale Modelling of Nanoparticle Suspensions
Online Presentations | 12 Jun 2017 | Contributor(s):: Pietro Asinari
In the present work a multiscale modelling approach is implemented to relate the nanoscale phenomena to the macroscopic bulk properties of nano-suspensions. Specifically, Molecular Dynamics (MD) simulations and Brownian Dynamics (BD) are synergistically integrated to understand the mechanisms...
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NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool: From Basic Physics to Real Devices and to Global Impact on nanoHUB.org
Online Presentations | 10 Nov 2016 | Contributor(s):: Gerhard Klimeck
The Nanoelectronic Modeling tool suite NEMO5 is aimed to comprehend the critical multi-scale, multi-physics phenomena and deliver results to engineers, scientists, and students through efficient computational approaches. NEMO5’s general software framework easily includes any kind of...
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NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool
Online Presentations | 19 Sep 2016 | Contributor(s):: Gerhard Klimeck
The Nanoelectronic Modeling tool suite NEMO5 is aimed to comprehend the critical multi-scale, multi-physics phenomena and deliver results to engineers, scientists, and students through efficient computational approaches. NEMO5’s general software framework easily includes any kind of...
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Multiscale Modeling of Graphene-Metal Contacts
Online Presentations | 01 Feb 2016 | Contributor(s):: T. Cusati, Gianluca Fiori, A. Fortunelli, Giuseppe Iannaccone
IWCE 2015 presentation. The quality of contacts between metals and two- dimensional materials is a critical aspect for the performance of transistors based on two-dimensional materials. In this talk we focus on an approach to multiscale modeling of graphene- metal contacts, considering both...
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A Multi-Scale Modeling Approach to Study Transport in Silicon Heterojunction Solar Cells
Online Presentations | 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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Multi-Scale Modeling of Metal-CNT Interfaces
Online Presentations | 03 Nov 2015 | Contributor(s):: Martin Claus
IWCE 2015 presentation. the authors studied the impact of contact materials on cntfet behavior using multiscale modeling and simulation framework. a strong correlation between metal-cnt coupling strength, contact length and contact resistance was found. the atomistic simulation was used to...
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Multi-Scale Quantum Simulations of Conductive Bridging RAM
Online Presentations | 02 Nov 2015 | Contributor(s):: Michael Povolotskyi, nicolas onofrio, David M Guzman, Alejandro Strachan, Gerhard Klimeck
IWCE 2015 presentation.
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NEMO5 Overview Presentation
Online Presentations | 17 Jul 2012 | Contributor(s):: Tillmann Christoph Kubis, Michael Povolotskyi, Jean Michel D Sellier, James Fonseca, Gerhard Klimeck
This presentation gives an overview of the current functionality of NEMO5.
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[Illinois] An Overview of Multiscale Simulation Algorithms, Guidelines and Pitfalls to Avoid
Online Presentations | 19 Jun 2012 | Contributor(s):: Richard Braatz
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[Illinois] Coarse-grained / Multiscale Simulation Software (NAMD)
Online Presentations | 19 Jun 2012 | Contributor(s):: Emad Tajkhorshid
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[Illinois] Coarse-grained and Multiscale Modeling of Biological Systems
Online Presentations | 19 Jun 2012 | Contributor(s):: Emad Tajkhorshid
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Multiscale Considerations in DNS Studies of Multiphase Flows
Online Presentations | 31 May 2012 | Contributor(s):: Gretar Tryggvason
Here we discuss such simulations from a multi-scale perspective, focusing on two aspects: First of all, DNS results can help with the development of closure relations of unresolved processes in simulations of large-scale “industrial” systems. As an example we discuss recent results for deformable...
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Illinois CNST Annual Nanotechnology Workshop 2010 Lecture 11: A Multiscale Computational Framework for Modeling of Nanomaterials
Online Presentations | 11 Mar 2011 | Contributor(s):: Arif Masud
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Ionic Selectivity in Channels: complex biology created by the balance of simple physics
Online Presentations | 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...
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BNC Annual Research Review: An Introduction to PRISM and MEMS Simulation
Online Presentations | 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.