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NCN at Northwestern Tools

by Gerhard Klimeck, Baudilio Tejerina, Benjamin P Haley

Version 2
by Gerhard Klimeck
Version 3
by Gerhard Klimeck

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=== Objective, Challenge, and Approach ===
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=== NCN@Northwestern Tool Support ===
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nanoHUB.org is designed in the spirit of research and educational support through online simulation. Everyone in the community is encouraged to contribute tools and seminars to the Nanoscience and Nanotechnology community! However, we are faced with issues of "Quality Control" and "Software Support" as a central cyberinfrastructure provider. Clearly we cannot be responsible to support all the contributed tools and materials. We therefore take a two-pronged approach to tackle the issues of "Quality Control" and "Software Support": We distinguish between two different sets of tools:
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[[Image(torch2.png, 150, class=align-right)]]
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1) contributed tools supported solely by the tool contributor.
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We have identified a list of tools for which we commit the following level of service:
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nanoHUB.org puts processes and infrastructure in place that makes the tracking of bugs, questions, and improvement requests as automated as possible. We request that the tool authors provide enough supplemental materials to their tools such as scientific heritage, tool validation, tool limitation discussions, tutorials, and even possibly usage scenarios (homework or project assignments).
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* monitor support tickets, questions, and wishlists and provide a response within 24 hours.
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* fix simple bugs within a week.
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2) NCN@University supported tools:
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* move long term projects and tool improvement requests to a public wish list.
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nanoHUB.org is operated by the Network for Computational Nanotechnology (NCN) which consists of several University nodes. NCN@University nodes support a limited set of tools with their local expertise. The level of support is such that we monitor the support tickets, questions, and suggestions for improvement very closely through NCN@University support persons and interact with the user community through these venues rapidly. '''Our level of service commitment is that we aim to answer questions within 24 hours, fix simple bugs within a week, and manage a list of tool improvements publicly.'''
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The overall support structure and philosophy of the NCN and nanoHUB is [/topics/NCNSupportedTools described in a different page].
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12 === NCN@Northwestern Supported Educational Tools===
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* [/tools/nuitns NUITNS] is our "Northwestern Initiative for Teaching !NanoScience" consistent of 4 different tools. All the tools in NUITNS are fully supported:
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* [/tools/tedvis Theoretical Electron Density Visualizer] - TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function
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* [/tools/molst Molecular Structure Tracer] - High-quality display of molecular structures
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* [/tools/uvspec UV/Vis Spectrum simulator] - Molecular electronic spectra
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* [/tools/cndo CNDO/INDO] - Semi-empirical Molecular Orbital calculations
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* [/tools/nsoptics NanoSphere Optics Lab] - Optical properties of nanospheres suspended in water, air, or other solutions
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* [/tools/nsoptics3D Nanosphere Optics Lab Field Simulator] - Study of the Electric field induced by Light-Nanoparticle interaction.
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* [/tools/qclab Quantum Chemistry Lab]
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=== NCN@Northwestern Supported Research Tools===
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=== NCN@Northwestern Supported Research Tools===
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* [/tools/pnppeptide PNP Cyclic Peptide Ion Channel Model] - Simulate ion flow in a system modeled after cyclic peptide ion channels using Poisson-Nernst-Planck (PNP) theory.
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* Coarse-Grain Lipid Simulator.
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* Active Media FDTD !NanoPhotonic Device Simulator.

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