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IWCN 2021: Multiscale Modeling and Simulation of Advanced Photovoltaic Devices
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
20 May 2021 | | Contributor(s):: Joan Redwing
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FocalPointPlasticity Plugin Demo
19 May 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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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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Understanding COVID-19 Infection, Immune Response, and Drug Therapy through Multiscale, Multicellular Modeling and Simulation
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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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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Multiscale Multicellular Modeling of Tissue Function and Disease using CompuCell3D
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
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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Learning Module: Comparison of Scale - Macro, Micro, Nano
06 Jun 2017 | | Contributor(s):: Southwest Center for Microsystems Education (SCME)
In order to grasp many of the concepts associated with micro and nano-size devices, one needs to understand scale and the size of objects associated with different scales. This learning module introduces various concepts associated with scale, and a comparison of the macro, micro, and...
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Learning Module: Comparison of Scale: Macro, Micro, Nano - Instructor Guides
06 Jun 2017 | | Contributor(s):: Southwest Center for Microsystems Education (SCME)
In order to grasp many of the concepts associated with micro and nano-size devices, one needs to understand scale and the size of objects associated with different scales. This learning module introduces various concepts associated with scale, and a comparison of the macro, micro, and...
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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
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
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
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
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
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
02 Nov 2015 | | Contributor(s):: Michael Povolotskyi, nicolas onofrio, David M Guzman, Alejandro Strachan, Gerhard Klimeck
IWCE 2015 presentation.
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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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[Illinois] Molecular and Multiscale Simulation Summer School
08 May 2013 | | Contributor(s):: NanoBio Node
This Summer School will train students in molecular simulation and simulation at multiple time and length scales. Instruction will be provided on quantum Monte Carlo simulation, molecular dynamics, coarse-grained simulations, and multiscale simulations with opportunities for hands-on experience...
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NEMO5 Overview Presentation
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
19 Jun 2012 | | Contributor(s):: Richard Braatz
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