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Exploring Materials Properties with Nanomaterial Mechanics Explorer Structure Files
24 Mar 2016 | | Contributor(s):: Tanya Faltens
This document describes how to generate and download simulation output files from the Nanomaterial Mechanics Explorer on nanoHUB and view them locally using OVITO. This can be particularly useful for more advanced manipulations of the trajectory files, and for sharing files with others, such...
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MSE 498 Lesson 12: MD
17 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
17 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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axes label and the zero point
Q&A|Closed | Responses: 2
It would be helpful to position the axes labels at the end of the each axis. The current display is not clear.
Also the zero point is printed as a small number in scientific notation...
https://nanohub.org/answers/question/1403
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[Illinois] Introduction to Cell Visualization
14 Jun 2013 | | Contributor(s):: Emad Tajkhorshid
Professor Emad Tajkhorshid speaks to University Laboratory High School students about his research in Computational Studies of Membranes and Membrane Associated PhenomenaMembrane proteins are of critical importance for all living cells. They are responsible for exchange of materials and...
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Rappture Bootcamp 2.5: Advanced Visualization
16 Jul 2012 | | Contributor(s):: Michael McLennan
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Computer Graphics Imagery for Motion Pictures and Commercial Advertising: The Achievement of Highly-Realistic Images
19 Aug 2011 | | Contributor(s):: Kenneth Torrance
The talk will review some of the underlying concepts from Radiation Heat Transfer that have now been implemented in synthetic images. In many cases, researchers in graphics have created algorithms that are many times faster and more detailed than the engineering algorithms from which they were...
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Embedding visualization software into a tool in Rappture
Q&A|Closed | Responses: 1
Hello everyone,
Is it possible to embed a third-party software GUI into one of my tool’s outputs through Rappture so that the user may use the visualization options available...
https://nanohub.org/answers/question/823
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Electron Density in a Nanowire
30 Jan 2011 | | Contributor(s):: Gerhard Klimeck, Saumitra Raj Mehrotra
Electron Density in a circular Silicon nanowire transistor.
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Tunneling in an Nanometer-Scaled Transistor
25 Jan 2011 | | Contributor(s):: Gerhard Klimeck, Mathieu Luisier, Neerav Kharche, George A. Howlett, Insoo Woo, David Ebert
Electrons tunneling through the gate of an ultra-scaled transistor.
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Goranka Bilalbegovic
https://nanohub.org/members/45672
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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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Facio
25 May 2008 | | Contributor(s):: Masahiko Suenaga
Facio is a 3D-graphics program for molecular modeling and visualization of quantum chemical calculations(GAMESS and Gaussian). It is a GUI for FMO (Fragment MO) calculation. Selected features include: (1) From a PDB file, create GAMESS/FMO input with 4 mouse clicks. (2) Manual fragmentation for...
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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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Theoretical Electron Density Visualizer
01 Jul 2008 | | Contributor(s):: Baudilio Tejerina
TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.
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UV/Vis Spectra simulator
04 Mar 2008 | | Contributor(s):: Baudilio Tejerina
This tool computes molecular electronic spectra.
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Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
13 Feb 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly...
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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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Electrons in Two Dimensions: Quantum Corrals and Semiconductor Microstructures
04 Dec 2007 | | Contributor(s):: Eric J. Heller
The images generated by a scanning tunneling microscope are iconic. Some of the most famous are Don Eigler’s quantum corrals, which reveal not only the guest atoms on a surface but especially the interference patterns of electrons shuttling back and forth along the surface. To understand the...
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SPMW A fresh look to amplitude-modulation AFM: Force minimization, interaction measurement, and the quest for high resolution
05 Jan 2007 | | Contributor(s):: Udo D. Schwarz
Frequency modulation atomic force microscopy (FM-AFM) has been able to deliver high-resolution atomic-scale images in ultrahigh vacuum for over one decade. In addition, there have been recent reports where atomic resolution has been achieved in air and liquids using FM-AFM [1]. Achieving...