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NCN at Purdue Tools

by Gerhard Klimeck, George B. Adams III, Michael McLennan, Mark Lundstrom, Benjamin P Haley, Joseph M. Cychosz, Saumitra Raj Mehrotra

Version 11
by Gerhard Klimeck
Version 41
by Benjamin P Haley

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=== Objective, Challenge, and Approach ===
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[[Image(supported-badge.png, 110, class=align-left)]]
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[[Image(purduelogo.jpg, 250, class=align-right)]]
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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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=== NCN@Purdue 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. We will 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@Purdue Supported Educational Tools===
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* [/tools/abacus ABACUS] is our "Assembly of Basic Applications for Coordinated Understanding of Semiconductors" consistent of some 20 different tools supported by a wiki page entitled [/topics/edusemiconductor Introduction to Semiconductor Devices] that provides tool overviews, and homework and project assignments for each of the covered concepts. Almost all the tools in ABACUS are fully supported ([[Resource(crystal_viewer)]], [[Resource(pcpbt)]], [[Resource(kronig_penney)]], [[Resource(bandstrlab)]], [[Resource(strainbands)]], [[Resource(fermi)]], [[Resource(semi)]], [[Resource(pntoy)]], [[Resource(bjt)]], [[Resource(moscap)]], and [[Resource(fettoy)]] ) but the Process simulation tools, PADRE, PROPHET, !StrainBands, !nanoMOS, Schred, Adept, and nanofet.
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* [/tools/abacus ABACUS] is our "Assembly of Basic Applications for Coordinated Understanding of Semiconductors" consistent of 10 different tools supported by [/topics/edusemiconductor Introduction to Semiconductor Devices] that provides tool overviews, and homework and project assignments for each of the covered concepts. All the tools in ABACUS are fully supported ([[Resource(crystal_viewer)]], [[Resource(pcpbt)]], [[Resource(kronig_penney)]], [[Resource(bandstrlab)]], [[Resource(fermi)]], [[Resource(semi)]], [[Resource(pntoy)]], [[Resource(bjt)]], [[Resource(moscap)]], and [[Resource(mosfet)]] ).
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* [/tools/qdot Quantum Dot Lab] enables users to study quantum dots in a simple effective mass model.
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* [/tools/qdot Quantum Dot Lab] enables users to study quantum dots in a simple effective mass model. The tool is powered by [http://cobweb.ecn.purdue.edu/~gekco/nemo3d/index.html NEMO 3-D] which can handle multimillion atom electronic structure calculations in full band models, rather than just effective mass models.
16 * [/resources/1838 CNTbands] enables the analysis of electronic structures and Carbon Nanotubes and Graphene.
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* [/tools/rtdnegf Resonant Tunneling Diode Lab] enables the study of resonance tunneling diodes with the [/topics/negf NEGF] formalism.
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* [/tools/rtdnegf Resonant Tunneling Diode Lab] enables the study of resonance tunneling diodes with the [/topics/negf NEGF] formalism. This tool has some of the [http://cobweb.ecn.purdue.edu/~gekco/nemo1d/index.html NEMO 1-D] capabilities, yet it is currently limited to effective mass models.
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19 === NCN@Purdue Supported Research Tools===
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21 * [/tools/abinit Abinit] provides a simple interface to the very popular community-based electronic structure code.
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* [/resources/1308 Bandstructure Lab] Computes the electronic structure of various materials in the spatial configuration of bulk (infinitely periodic), quantum wells (confined in one dimension, infinitely periodic in 2 dimensions), and wires (confined in 2 dimensions and infinitely periodic in the third dimension.
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* [/tools/bandstrlab Bandstructure Lab] Computes the electronic structure of various materials in the spatial configuration of bulk (infinitely periodic), quantum wells (confined in one dimension, infinitely periodic in 2 dimensions), and wires (confined in 2 dimensions and infinitely periodic in the third dimension). The tool is powered by [http://cobweb.ecn.purdue.edu/~gekco/omen/index.html OMEN], one of our NCN@Purdue tool intitiatives which create new advanced research tools.
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* [/tools/omenwire OMEN nanowire] Simulate full-band 3D, real-space quantum transport in nanowire structures. The tool is powered by [http://cobweb.ecn.purdue.edu/~gekco/omen/index.html OMEN], one of our NCN@Purdue tool intitiatives which create new advanced research tools.
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=== Links to: Tools, Questions and Answers, and Wishlists ===
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Users may 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. The table below links to each supported tool, its questions, and its wishlist.
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||'''Tool'''||'''Questions'''||'''Wishlist'''||
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||[/tools/abacus Abacus]||[/resources/5065/questions Questions]|| [/resources/5065/wishlist Wishes]||
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||[[Resource(crystal_viewer)]]||[/resources/3741/questions Questions]|| [/resources/3741/wishlist Wishes]||
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||[[Resource(pcpbt)]]||[/resources/4826/questions Questions]|| [/resources/4826/wishlist Wishes]||
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||[[Resource(kronig_penney)]]||[/resources/3847/questions Questions]|| [/resources/3847/wishlist Wishes]||
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||[[Resource(bandstrlab)]]||[/resources/1308/questions Questions]|| [/resources/1308/wishlist Wishes]||
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||[[Resource(fermi)]]||[/resources/3798/questions Questions]|| [/resources/3798/wishlist Wishes]||
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||[[Resource(semi)]]||[/resources/3862/questions Questions]|| [/resources/3862/wishlist Wishes]||
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||[[Resource(pntoy)]]||[/resources/229/questions Questions]|| [/resources/229/wishlist Wishes]||
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||[[Resource(bjt)]]||[/resources/3984/questions Questions]|| [/resources/3984/wishlist Wishes]||
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||[[Resource(moscap)]]||[/resources/451/questions Questions]||[/resources/451/wishlist Wishes]||
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||[[Resource(mosfet)]]||[/resources/452/questions Questions]||[/resources/452/wishlist Wishes]||
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||[[Resource(qdot)]]||[/resources/450/questions Questions]|| [/resources/450/wishlist Wishes]||
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||[[Resource(1838)]]||[/resources/1838/questions Questions]|| [/resources/1838/wishlist Wishes]||
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||[[Resource(rtdnegf)]]||[/resources/5237/questions Questions]||[/resources/5237/wishlist Wishes]||
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||[[Resource(abinit)]]||[/resources/202/questions Questions]||[/resources/202/wishlist Wishes]||
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||[[Resource(omenwire)]]||[/resources/5359/questions Questions]||[/resources/5359/wishlist Wishes]||
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=== Other NCN@Purdue Tools ===
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[/topics/NCNNanoelectronics Nanoelectronics] is the focal point of the research performed at Purdue University. A variety of NCN@Purdue contributed tools are listed on the [/topics/NCNNanoelectronics Nanoelectronics] page.

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.