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Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces
out of 5 stars
31 Jan 2008 | | 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 the excitation, charge, spin, and vibrational dynamics in a variety of novel materials, including...
Electro-deposition of Copper on a Filter Template for Growing Nanowires
30 Nov 2016 | | Contributor(s):: Francis Nguyen
This lab is designed to help students understand the electro-plating process of growing nanowires. This experiment will use an electro-plating process to transfer metal ions in a solution to a template to produce nanowires. The electric field in the solution carries these ions and deposits them...
How Chemical Engineers Will Save the World
09 Mar 2009 | | 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 overview of certain mega trends is presented – emphasizing how the skills possessed by chemical...
How Chemistry Records the History of People and Products
22 Sep 2010 | | 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 | | Contributor(s):: Eric 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 | | Contributor(s):: Ryan C. Bailey
Introduction to and Advances in Self-Healing Polymers
14 Jun 2007 | | 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 Self-Healing ApplicationsGerald O. Wilson is a Ph.D. Candidate in the Department of Materials Science...
Molecular Orbital Theory
18 Dec 2006 | | 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 presentation on molecular orbital theory for high school students.Abel Perez: I obtained my BS at Instituto...
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...
Nano*High: From Atoms to Electricity: An Introduction to Nuclear Power, Its Promise and Challenge
02 Feb 2010 | | 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 challenges involved in generating nuclear power and dealing safely with the by-products.
nano-Materials Simulation Toolkit
08 Aug 2006 | | 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 | | Contributor(s):: Alejandro Strachan
Demonstraton of the nanoHUB tool "nano-Materials Simulation Toolkit."
17 Jan 2017 | | Contributor(s):: Darren Hayes, Nancy Healy
Many plastics are in our oceans due to pollution, including ocean dumping and land runoff. Sunlight and alkaline ocean water break these plastics down into small particles, many are nanoscale in size. These nanoparticles can easily enter our cells. Students examine if and how these...
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.
Optical and Thermodynamic properties of noble metal nanoparticles. Effect of chemical functionalization.
04 May 2009 | | 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 clusters and the interaction of the clusters with molecules such as pyridine. The reactivity of the...
Particle in a Box
15 Feb 2007 | | 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 (the box) with an infinite potential at its boundaries ( the wells). A particle experiences no...
14 Feb 2006 | | 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 | | Contributor(s):: Mark Ratner
This tutorial will provide an overview of electronic structure calculations from achemist's perspective. This will include a review of the basic electronic structuretheories.
Quantum Chemistry Part II
08 Jul 2004 | | Contributor(s):: George C. Schatz
24 Jul 2006 | | 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