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Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces
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31 Jan 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 …
Einstein/Bohr Debate and Quantum Computing
10 May 2005 | Online Presentations | Contributor(s): Karl Hess
This presentation deals with the Einstein/Bohr Debate and Quantum Computing.
From Research to Learning in Chemistry through Visualization and Computation
17 May 2007 | Online Presentations | Contributor(s): Eric Jakobsson
Modern chemistry research and high school chemistry education are separated by institutional and geographical boundaries. As such, much of secondary chemistry education is still based on the periodic …
How Chemical Engineers Will Save the World
09 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
22 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.
24 Jul 2006 | 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
08 May 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 Northwestern, …
Introduction to and Advances in Self-Healing Polymers
14 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
25 Jun 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 engines …
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
08 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
12 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.
04 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
15 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 space …
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
08 Jul 2004 | 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 theories.
Quantum Chemistry Part II
08 Jul 2004 | Online Presentations | Contributor(s): George C. Schatz
24 Jul 2006 | Tools | Contributor(s): Wen-Dung Hsu, SeongJun Heo, Jing Xu, Susan Sinnott
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