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 7
by (unknown)
Version 8
by (unknown)

Deletions or items before changed

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1 === Objective, Challenge, and Approach ===
3 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 often 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:
5 1) contributed tools supported solely by the tool contributor.
6 We aim to put 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).
8 2) NCN@University supported tools:
9 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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=== Educational Tools===
=== NCN@Purdue Supported Educational Tools===
13 * [/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 but the Process simulation tools, PADRE, PROPHET, and !StrainBands.
14 * [/tools/qdot Quantum Dot Lab] enables users to study quantum dots in a simple effective mass model.
15 * [/resources/1838 CNTbands] enables the analysis of electronic structures and Carbon Nanotubes and Graphene.
16 * [/tools/rtdnegf Resonant Tunneling Diode Lab] enables the study of resonance tunneling diodes with the [/topics/negf NEGF] formalism.
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=== Research Tools===
=== NCN@Purdue Supported Research Tools===
20 * [/tools/abinit Abinit] provides a simple interface to the very popular community-based electronic structure code.
21 * [/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.