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Molecular Structure Tracer
05 Feb 2008 | | Contributor(s):: Baudilio Tejerina
This tool provides a high quality display of molecular structures.
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Molecular Workbench: An Interface to the Molecular World
25 Jun 2006 | | Contributor(s):: Charles Xie
The Molecular Workbench software is a free, open-source modeling and authoring program specifically designed for use in science education. Powered by a set of real-time molecular simulation engines that compute and visualize the motion of particles interacting through force fields, in both 2D and...
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MSE 498 Lesson 12: MD
16 Mar 2015 | | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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MSE 498 Lesson 13: MD
16 Mar 2015 | | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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Muhammad Bilal
Bilal’s research focuses on data-driven solutions for the environmental and health impact assessment of engineered nanomaterials (ENMs) using advanced machine learning/data mining and simulation...
https://nanohub.org/members/179709
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Nanoparticle Synthesis and Assembly for Biological Sensing
25 Oct 2005 | | Contributor(s):: Gil Lee
Nanoparticles have unique physical and chemical properties that make them very useful for biological and chemical sensing. For example, colloidal gold has been used as an optical transducer for antibody based sensing for over twenty years and is the basis for a many of the point-of-use diagnostic...
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NCN Cyberinfrastructure Overview
21 Jun 2005 | | Contributor(s):: Gerhard Klimeck
Presentation of the NCN cyberinfrastructure to the June 2005 NSF review team. The nanoHUB development over 12 months will be presented in a broad overview.
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NEMO 1-D: The First NEGF-based TCAD Tool and Network for Computational Nanotechnology
28 Dec 2004 | | Contributor(s):: Gerhard Klimeck
Nanotechnology has received a lot of public attention since U.S. President Clinton announced the U.S.National Nanotechnology Initiative. New approaches to applications in electronics, materials,medicine, biology and a variety of other areas will be developed in this new multi-disciplinary...
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NEMO 3D: Intel optimizations and Multiple Quantum Dot Simulations
03 Aug 2006 | | Contributor(s):: Anish Dhanekula, Gerhard Klimeck
NEMO-3D is a nanoelectronic modeling tool that analyzes the electronic structure of nanoscopic devices. Nanoelectronic devices such as Quantum Dots (QDs) can contain millions of atoms,. Therefore, simulating their electronic structure, can take up to several days. In order to simulate and analyze...
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Neural Network Visualization Tool
03 Dec 2019 | | Contributor(s):: David Enrique Farache, Alejandro Strachan, Juan Carlos Verduzco Gastelum, Saaketh Desai
Develops a graph of the neural network that can be manipulated to isolate data
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Northwestern University Initiative for Teaching Nanoscience
12 Aug 2008 | | Contributor(s):: Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
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Numerical Aspects of NEGF: The Recursive Green Function Algorithm
14 Jun 2004 | | Contributor(s):: Gerhard Klimeck
Numerical Aspects of NEGF: The Recursive Green Function Algorithm
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Parallel Computing for Realistic Nanoelectronic Simulations
12 Sep 2005 | | Contributor(s):: Gerhard Klimeck
Typical modeling and simulation efforts directed towards the understanding of electron transport at the nanometer scale utilize single workstations as computational engines. Growing understanding of the involved physics and the need to model realistically extended devices increases the complexity...
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Quantum Dot Lab
12 Nov 2005 | | Contributor(s):: Prasad Sarangapani, James Fonseca, Daniel F Mejia, James Charles, Woody Gilbertson, Tarek Ahmed Ameen, Hesameddin Ilatikhameneh, Andrew Roché, Lars Bjaalie, Sebastian Steiger, David Ebert, Matteo Mannino, Hong-Hyun Park, Tillmann Christoph Kubis, Michael Povolotskyi, Michael McLennan, Gerhard Klimeck
Compute the eigenstates of a particle in a box of various shapes including domes, pyramids and multilayer structures.
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Quantum Dots
21 Jul 2005 | | Contributor(s):: Gerhard Klimeck
Quantum Dots are man-made artificial atoms that confine electrons to a small space. As such, they have atomic-like behavior and enable the study of quantum mechanical effects on a length scale that is around 100 times larger than the pure atomic scale. Quantum dots offer application...
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Rappture Bootcamp 2.5: Advanced Visualization
15 Jul 2012 | | Contributor(s):: Michael McLennan
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Scientific Data Visualization using Python
09 Jun 2022 | | Contributor(s):: Jessica Nash, Ashley Ringer McDonald
This lecture looks at scientific data visualization using matplotlib, plotly, and visulizing molecular structures using scientific NGLView.
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Scientific Software Development
29 Jun 2005 | | Contributor(s):: Clemens Heitzinger
The development of efficient scientific simulation codes poses a wide range of problems. How can we reduce the time spent in developing and debugging codes while still arriving at efficient programs? What happens when our codes must interact with existing tools? In recent years, higher-level...
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Sebastian Lee
Sebastian Lee is an undergraduate student majoring in Industrial Engineering at Purdue University with a Specialization in Software Engineering. He is anticipated to graduate in May 2012 and plans...
https://nanohub.org/members/44565
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Simultaneous Interactive Visualization of Multiple Volumes
21 Apr 2004 | | Contributor(s):: Zheng Li
2003 SURI Conference Proseedings