Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces

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 …

https://nanohub.org/resources/3951

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.

https://nanohub.org/resources/384

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 …

https://nanohub.org/resources/2725

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 …

https://nanohub.org/resources/6462

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.

https://nanohub.org/resources/9765

Hydrophobicity Lab

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

https://nanohub.org/resources/hydrolab

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, …

https://nanohub.org/resources/13926

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 …

https://nanohub.org/resources/2808

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 …

https://nanohub.org/resources/2116

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 …

https://nanohub.org/resources/1592

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 …

https://nanohub.org/resources/5477

nano-Materials Simulation Toolkit

08 Aug 2006 | Tools | Contributor(s): Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri

Molecular Dynamics simulations of nano-materials

https://nanohub.org/resources/matsimtk

nano-Materials Simulation Toolkit Quick Demo

18 Oct 2008 | Online Presentations | Contributor(s): Alejandro Strachan

Demonstraton of the nanoHUB tool "nano-Materials Simulation Toolkit."

https://nanohub.org/resources/5613

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.

https://nanohub.org/resources/nuitns

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 …

https://nanohub.org/resources/6741

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 …

https://nanohub.org/resources/2339

QC-Lab

14 Feb 2006 | Tools | Contributor(s): Baudilio Tejerina

Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules

https://nanohub.org/resources/qclab

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.

https://nanohub.org/resources/496

Quantum Chemistry Part II

08 Jul 2004 | Online Presentations | Contributor(s): George C. Schatz

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.

https://nanohub.org/resources/500

REBO

24 Jul 2006 | Tools | Contributor(s): Wen-Dung Hsu, SeongJun Heo, Jing Xu, Susan Sinnott

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https://nanohub.org/resources/rebomd