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Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces
0.0 out of 5 stars
01 Feb 2008 | Online Presentations | Contributor(s): Oleg Prezhdo
Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing...
How Chemical Engineers Will Save the World
26 Mar 2009 | Online Presentations | Contributor(s): William F. Banholzer
The world is facing massive challenges brought on by population growth, economic meltdowns, and environmental constraints. Scientific solutions are needed now more than ever. In this seminar, an...
How Chemistry Records the History of People and Products
23 Sep 2010 | Online Presentations | Contributor(s): Gabriel Bowen
I know what you did last summer... and where you were and what you ate and what you drank.
3.0 out of 5 stars
29 Jan 2007 | Tools | Contributor(s): Eric F Darve, Artit Wangperawong, Kazutora Hayashida
Study hydrophobicity and how Lennard Jones particles cluster in a polar solvent
Illinois CNST Annual Nanotechnology Workshop 2011: Silicon Photonics - An Enabling Technology for Multiplexed Bioanalysis
13 Jun 2012 | Online Presentations | Contributor(s): Ryan C. Bailey
Professor Bailey received his undergraduate degree in chemistry from Eastern Illinois University in 1999. He then went on Northwestern University, obtaining his Ph.D. in 2004. While at...
Introduction to and Advances in Self-Healing Polymers
22 Jun 2007 | Online Presentations | Contributor(s): Gerald O. Wilson
The presenter briefly introduces the topic of Self-Healing Polymer research and continues to give a Survey of Ruthenium Metathesis Catalysts for Ring Opening Metathesis Polymerization-Based...
Molecular Orbital Theory
18 Dec 2006 | Teaching Materials | Contributor(s): Luis Emmanuel Bonilla
This is the seventh contribution from the students in the University of Texas at El Paso Molecular Electronics course given in the fall of 2006.
Luis Bonilla and Abel Perez have designed a...
Molecular Workbench: An Interface to the Molecular World
5.0 out of 5 stars
31 Aug 2006 | Downloads | 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...
Nano*High: From Atoms to Electricity: An Introduction to Nuclear Power, Its Promise and Challenge
02 Feb 2010 | Online Presentations | Contributor(s): Brian D. Wirth
Lawrence Berkeley National Laboratory Nano*High. Professor Brian Wirth from the UC Berkeley Dept. of Nuclear Engineering presents the basics of nuclear science, and discusses the technological...
nano-Materials Simulation Toolkit
09 Aug 2006 | Tools | Contributor(s): Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri
Molecular Dynamics simulations of nano-materials
nano-Materials Simulation Toolkit Quick Demo
18 Oct 2008 | Online Presentations | Contributor(s): Alejandro Strachan
Demonstraton of the nanoHUB tool "nano-Materials Simulation Toolkit."
Northwestern University Initiative for Teaching Nanoscience
20 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
Optical and Thermodynamic properties of noble metal nanoparticles. Effect of chemical functionalization.
06 May 2009 | Teaching Materials | Contributor(s): Baudilio Tejerina, George C. Schatz
This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical methods will be applied to the study of metallic...
Particle in a Box
1.0 out of 5 stars
23 Feb 2007 | Online Presentations | Contributor(s): Heng Li
The particle in a box (or the infinite potential well) is a simple idealized system that is completely solved within quantun mechanics. The infinite potential well is a finite sized region in...
1.5 out of 5 stars
14 Feb 2006 | Tools | Contributor(s): Baudilio Tejerina
Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules
Quantum Chemistry Part I
15 Feb 2005 | Online Presentations | Contributor(s): Mark A. Ratner
This tutorial will provide an overview of electronic structure calculations from a
chemist's perspective. This will include a review of the basic electronic structure
Quantum Chemistry Part II
22 Nov 2005 | Online Presentations | Contributor(s): George C. Schatz
4.0 out of 5 stars
02 Oct 2006 | Tools | Contributor(s): Wen-Dung Hsu, SeongJun Heo, Jing Xu, Susan Sinnott
Reactive Empirical Bond-Order (REBO) potential is a many-body expression optimized for modeling covalently bonded materials, such as carbon and silicon, in large-scale atomistic simulations
REBO Nanofluidics Exercise
09 Jun 2004 | Teaching Materials | Contributor(s): Susan Sinnott, Hetal Patel
Nanofluidics exercise showing the variation of energy and position
of methane and butane molecules flowing through an opened carbon
nanotube as the system temperature and the length of the...
Simple Harmonic Oscillator
One of the most important model systems in quantum mechanics because a wide variaty of physical situations can be reduced to it either exactly or approximately. In particular, a system near an...