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Weekly Pulse Dashboard
Tools | 01 May 2018 | Contributor(s):: Dwight McKay
This jupyter notebook tool provides a visualization of timely metrics related to nanoHUB performance.
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Focused Ion Beam Molecular Dynamics
Tools | 24 Apr 2018 | Contributor(s):: Joshua Michael Stout, Sixian Jia
3-D Molecular Dynamics Simulation of a Gallium FIB on Silicon
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pc4nanobio: cancer nanotherapy simulator
Tools | 19 Apr 2018 | Contributor(s):: Yafei Wang, Randy Heiland, Paul Macklin
Simulate cancer response to drug-loaded nanoparticles
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Jupyter Notebook (201803)
Tools | 22 Mar 2018
Starts the Jupyter notebook server in your home directory.
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1D finite element analysis ME 323
Tools | 19 Mar 2018 | Contributor(s):: Peter Kolis, Marisol Koslowski
Mechanics of Materials using Jupyter Notebooks
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Squirmer flow field simulation
Tools | 09 Feb 2018 | Contributor(s):: Junyuan Li, Arezoo Ardekani
Simulate the 2-D flow field around a self-propulsion microorganism and identify its type
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MSE educational tool: crystal structures, reciprocal lattice & symmetry
Tools | 04 Jan 2018 | Contributor(s):: Nolan Andrew Miller, Peilin Liao
Educational notebooks for studying crystal structures
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Ions in Nanoconfinement
Tools | 22 Dec 2017 | Contributor(s):: Kadupitige Kadupitiya, Nasim Anousheh, Suresh Marru, Fox, Geoffrey C., Vikram Jadhao
The Ions in Nanoconfinement app empowers users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
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Object Oriented MicroMagnetic Framework (OOMMF) Example Notebooks
Tools | 12 Dec 2017
Object Oriented MicroMagnetic Framework (OOMMF) Example Notebooks
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Jupyter Object Oriented MicroMagnetic Framework (JOOMMF) Example Notebooks
Tools | 12 Dec 2017 | Contributor(s):: Marijan Beg, Hans Fangohr
Jupyter-OOMMF (JOOMMF) integrates a popular micromagnetic package OOMMF (http://math.nist.gov/oommf/) with Python and Jupyter Notebook
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MSE educational tool: visualization of stacking faults
Tools | 28 Nov 2017 | Contributor(s):: Peilin Liao
Visualize stacking faults in FCC and BCC crystals
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MSE educational tool: elastic moduli calculations
Tools | 22 Nov 2017 | Contributor(s):: Peilin Liao
Illustrate how to calculate elastic constants for crystals
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Phase Transforming Cellular Materials Simulator
Tools | 07 Jun 2017 | Contributor(s):: Yunlan Zhang, Chidubem Nuela Enebechi, Kristiaan William Hector, Gavin Carter, ASHLEY MIN, Valeria Grillo, David Restrepo, Nilesh Mankame, Pablo Daniel Zavattieri
The tool will predict mechanical behavior of PXCMs given the the response of the unit cell
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Specific Resistance for Copper Interconnects
Tools | 15 Nov 2017 | Contributor(s):: Daniel A. Valencia-Hoyos, Gustavo A Valencia, Daniel F Mejia, Kuang-Chung Wang, Zhengping Jiang, Gerhard Klimeck, Michael Povolotskyi
This tool calculates the specific resistance $rho(alpha,beta,gamma)$ based on the atomistic model reported in preprint arXiv:1701.04897
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LAMMPS Data-File Generator
Tools | 01 Aug 2017 | Contributor(s):: Carlos Miguel Patiño, Lorena Alzate-Vargas, Chunyu Li, Benjamin P Haley, Alejandro Strachan
The LAMMPS Data-File Generator generates LAMMPS data files to perform molecular dynamics simulations in LAMMPS using Dreiding or PCFF force field energy terms
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High Throughput DFT Calculation Resources
Tools | 16 Jun 2017 | Contributor(s):: Austin Jacob Zadoks, Karthik Guda Vishnu, Sam Reeve, David M Guzman, Alejandro Strachan
Python functions / libraries / other resources useful for running High Throughput (query-based) DFT calculations on nanoHUB
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Atomistic Polymer Workflow Notebook
Tools | 19 Oct 2017 | Contributor(s):: Benjamin P Haley
Run PolymerModeler and nuSIMM tools to create atomistic polymer systems
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Electrochemical Simulation
Tools | 20 Jul 2017 | Contributor(s):: Joseph Anderson
Simulate molecular dynamics using LAMMPS as well as an addition electrochemical force field (EChemDID)
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Quantum Dot Lab via Jupyter
Tools | 30 Aug 2017 | Contributor(s):: Khaled Aboumerhi, Tarek Ahmed Ameen, Prasad Sarangapani, Daniel F Mejia, Gerhard Klimeck
Simulate 3-D confined states in quantum dot geometries using Jupyter notebook for educational purposes
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Purdue ME 581-Numerical Methods in Engineering Using Jupyter Notebooks
Tools | 06 Sep 2017 | Contributor(s):: Marisol Koslowski, Peter Kolis, Meredith Michele Meyer, Akshay Vivek Dandekar, Camilo Alberto Duarte-Cordon
Jupyter notebooks with an introduction to python and examples for Numerical Methods in Engineering.