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NCN at Northwestern Tools

by Gerhard Klimeck, Baudilio Tejerina, Benjamin P Haley

Version 1
by Gerhard Klimeck
Version 16
by Baudilio Tejerina

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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(seal5.png, 110, class=align-right)]]
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[[Image(supported-badge.png, 110, class=align-left)]]
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=== NCN@Northwestern Tool Support ===
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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 one business day.
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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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11 === NCN@Northwestern Supported Educational Tools===
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* [/tools/nuitns NUITNS] is our "Northwestern Initiative for Teaching !NanoScience" consistent of 5 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/qclab QC-Lab] - Quantum Chemistry Lab.
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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/dpowj EPR] - Electron Paramagnetic Resonance.
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* [/tools/endor ENDOR] - Electron Nuclear Double Resonance spectroscopy.
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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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* [/tools/cgls CGLS] - Coarse-Grain Lipid Simulator.
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* [/tools/acmenpds AcMe NPDS] - Active Media FDTD Nanophotonics Device Simulator.
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=== Tool Improvement Wishlist ===
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User due post questions or send support tickets where they essentially ask for new features in tools or suggest improvements. With the limited resources we have available we want to manage these tool suggestions publicly. Eventually we believe that each tool will have its own "Wishlist". For now we summarize the tool improvment wishes here.
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=== Links to: Tools, Questions and Answers, and Wishlists ===
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User due post questions or send support tickets where they essentially ask
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for new features in tools or suggest improvements. With the limited
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resources we have available we want to manage these tool suggestions
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publicly. Eventually we believe that each tool will have its own
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"Wishlist". For now we summarize the tool improvment wishes here.
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=== NCN@Northwestern Supported Research Tools===
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||'''Tool'''||'''Questions'''||'''Wishlist'''||
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||[/tools/nuitns NUITNS]||[/resources/5223/questions Questions]||[/resources/5223/wishlist Wishes]||
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||[/tools/qclab QC-Lab]||[/resources/1035/questions Questions]||[/resources/1035/wishlist Wishes]||
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||[/tools/tedvis TEDViz]||[/resources/4837/questions Questions]||[/resources/4837/wishlist Wishes]||
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||[/tools/molst MolST]||[/resources/3983/questions Questions]||[/resources/3983/wishlist Wishes]||
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||[/tools/uvspec UV/Vis Spectrum simulator]||[/resources/uvspec/questions Questions]||[/resources/uvspec/wishlist Wishes]||
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||[/tools/cndo INDO/CNDO]||[/resources/3352/questions Questions]||[/resources/3352/wishlist Wishes]||
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||[/tools/nsoptics NanoSphere Optics Lab (NSOL)]||[/resources/1309/questions Questions]||[/resources/1309/wishlist Wishes]||
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||[/tools/nsoptics3D NSOL - Field Simulator]||[/resources/3056/questions Questions]||[/resources/3056/wishlist Wishes]||
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||[/tools/pnppeptide PNP Cyclic Peptide Ion Channel Model]||[/resources/2469/questions Questions]||[/resources/2469/wishlist Wishes]||
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||[/tools/dpowj Electron Paramagnetic Resonancel]||[/resources/6654/questions Questions]||[/resources/6654/wishlist Wishes]||
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||[/tools/acmenpds Active Media Nanophotonics Device Simulator]||[/resources/4242/questions Questions]||[/resources/4242/wishlist Wishes]||

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.