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MSE 498 Lesson 2: bash
Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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MSE 498 Lesson 3: bash
Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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MSE 498 Lesson 4: bash and MATLAB
Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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MSE 498 Lesson 5: MATLAB
Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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MSE 498 Lesson 6: DFT
Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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MSE 498 Lesson 7: DFT
Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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MSE 498 Lesson 8: DFT
Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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MSE 498 Lesson 9: DFT
Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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Nanoelectronic Modeling Lecture 02: (NEMO) Motivation and Background
Online Presentations | 25 Jan 2010 | Contributor(s):: Gerhard Klimeck, Dragica Vasileska
Fundamental device modeling on the nanometer scale must include effect of open systems, high bias, and an atomistic basis. The non-equilibrium Green Function Formalism (NEGF) can include all these components in a fundamentally sound approach and has been the basis for a few novel device...
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Nanoelectronic Modeling Lecture 03: nanoHUB.org - Online Simulation and More
Online Presentations | 25 Jan 2010 | Contributor(s):: Gerhard Klimeck
This presentation provides a brief overview of the nanoHUB capabilites, compares it to static web page delivery, highlights its technology basis, and provides a vision for future cyberinfrastructures in a system of federated HUBs powered by the HUBzero.org infrastructure.
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Nanoelectronic Modeling Lecture 22: NEMO1D - Motivation, History and Key Insights
Online Presentations | 07 Feb 2010 | Contributor(s):: Gerhard Klimeck
The primary objective of the NEMO-1D tool was the quantitative modeling of high performance Resonant Tunneling Diodes (RTDs). The software tool was intended for Engineers (concepts, fast turn-around, interactive) and Scientists (detailed device anaysis). Therefore various degrees of...
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nanoHUB.org - Past, Present, Future...
Online Presentations | 31 Jan 2011 | Contributor(s):: Mark Lundstrom
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nanoHUB.org: Future Cyberinfrastructure Serving a Community of 60,000 Today
Online Presentations | 23 Apr 2008 | Contributor(s):: George B. Adams III, Gerhard Klimeck, Mark Lundstrom, Michael McLennan
nanoHUB.org provides users with "fingertip access" to over 70 simulation tools for research and education. Users not only launch jobs that are executed on the state-of-the-art computational facilities of Open Science Grid and TeraGrid, but also interactively visualize and analyze the results—all...
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NCN, nanoHUB, HUBzero: cyberinfrastructure for nanotechnology
Online Presentations | 10 Feb 2011 | Contributor(s):: Mark Lundstrom
Presentation made at the Workshop to Develop the Global Nanotechnology Network, Grenoble, France.
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Opening Remarks: Excellence in Computer Simulation
Online Presentations | 03 Jan 2008 | Contributor(s):: Mark Lundstrom
Opening remarks for the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational science and engineering.
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Stories from the NNI: A Platform to Share Nano Simulation Tools - A Conversation with Gerhard Klimeck
Online Presentations | 04 Mar 2020 | Contributor(s):: Gerhard Klimeck, Lisa Friedersdorf
In this episode of Stories from the NNI, Lisa Friedersdorf, Director of the National Nanotechnology Coordination Office, speaks with Gerhard Klimeck, Professor of Electrical and Computer Engineering at Purdue University and Director of nanoHUB, about an online platform that shares modeling and...
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Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications
Online Presentations | 23 Dec 2022 | Contributor(s):: Enrique Guerrero
We will perform molecular dynamics computations using LAMMPS, simple Monte Carlo simulations including the Ising model, and run quantum chemistry and density functional theory computations.
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TEDxPurdueU - Gerhard Klimeck - Connect Innovation
Online Presentations | 15 Jun 2012 | Contributor(s):: Gerhard Klimeck
The NCN provides on-line simulation resources to the Nanotechnology Community at large through its nanoHUB. nanoHUB provides the capability to perform on-line simulation through a web browser without the installation of any software. nanoHUB served over 10,800 simulation users and over 195,000...
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The HUBzero Platform for Scientific Collaboration
Online Presentations | 31 Jan 2011 | Contributor(s):: Michael McLennan
The framework that powers nanoHUB.org has been released as an open source package known as the HUBzero(r) Platform for Scientific Collaboration.
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What's the HUBbub? - Panel Discussion
Online Presentations | 31 Jan 2011 | Contributor(s):: Michael McLennan, Mark Lundstrom, Rudi Eigenmann