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A MATLAB code for Hartree Fock calculation of H-H ground state bondlength and energy using STO-4G
5.0 out of 5 stars
08 Aug 2006 | Downloads | Contributor(s): Amritanshu Palaria
Hartree Fock (HF) theory is one of the basic theories underlying the current understanding of the electronic structure of materials. It is a simple non-relativistic treatment of many electron...
Nanotubes and Nanowires: One-dimensional Materials
17 Jul 2006 | Online Presentations | Contributor(s): Timothy D. Sands
What is a nanowire? What is a nanotube? Why are they interesting and what are their potential applications? How are they made? This presentation is intended to begin to answer these questions...
Vector Free Energy Calculation with Adaptive Biasing Force
0.0 out of 5 stars
18 Jun 2006 | Online Presentations | Contributor(s): Eric F Darve
This presentation discusses recent numerical methods to calculate the
free energy as a function of a reaction coordinate for bio-molecules.
Free energy is often called potential of mean force...
First Principles-Based Modeling of materials: Towards Computational Materials Design
20 Apr 2006 | Online Presentations | Contributor(s): Alejandro Strachan
Molecular dynamics (MD) simulations with accurate, first principles-based interatomic potentials is a powerful tool to uncover and characterize the molecular-level mechanisms that govern the...
The Rush to Market, Lack of Knowledge, and Public Trust
11 Apr 2006 | Online Presentations | Contributor(s): Vivian Weil
What should rivet our attention now is the rush to get nano products into the market
long before the nanoscale phenomena these products exploit are understood.
Nanoscale materials often...
EDA Challenges in Nanoscale Design: A Synopsys Perspective
11 Apr 2006 | Online Presentations | Contributor(s): Rich Goldman
Rich Goldman gives an overview of the current state of
the semiconductor and EDA (Electronic Design Automation) industry with a
special focus on the impact of nanometer scale design on design...
The Long and Short of Pick-up Stick Transistors: A Promising Technology for Nano- and Macro-Electronics
11 Apr 2006 | Online Presentations | Contributor(s): Muhammad A. Alam
In recent years, there has been enormous interest in the emerging field of large-area macro-electronics, and fabricating thin-film transistors on flexible substrates. This talk will cover recent...
Tutorial on Using Micelle-MD
05 Apr 2006 | Online Presentations | Contributor(s): Patrick Chiu, Kunal Shah, Susan Sinnott
This is a tutorial using Micelle-MD. This includes the main
capabilities, computation procedure, with format of files
generated, and the simulation setup, which includes the material
Mechanical Properties of Surfactant Aggregates at Water-Solid Interfaces
This is a talk on the mechanical properties of surfactant
aggregates at water-solid interfaces using Micelle-MD. This
includes silica indentations of micelles with comparison to
Mark Ratner Interview on Nanotechnology
2.0 out of 5 stars
23 Mar 2006 | Online Presentations | Contributor(s): Mark A. Ratner, Krishna Madhavan
Nanotechnology interview with Krishna Madhavan.
Engineering Nanomedical Systems
14 Mar 2006 | Online Presentations | Contributor(s): James Leary
This tutorial discusses general problems and approaches to the design of engineered nanomedical systems. One example given is the engineering design of programmable multilayered nanoparticles...
A Gentle Introduction to Nanotechnology and Nanoscience
4.5 out of 5 stars
13 Feb 2006 | Online Presentations | Contributor(s): Mark A. Ratner
While the Greek root nano just means dwarf, the nanoscale has become a giant focus of contemporary science and technology. We will examine the fundamental issues underlying the excitement...
Nano-Scale Device Simulations Using PROPHET-Lab Exercise 2
08 Feb 2006 | Teaching Materials | Contributor(s): Yang Liu
Companion exercises for "Nano-Scale Device Simulations Using PROPHET".
Nano-Scale Device Simulations Using PROPHET-Lab Exercise 1
Nano-Scale Device Simulations Using PROPHET-Part II: PDE Systems
22 Jan 2006 | Online Presentations | Contributor(s): Yang Liu, Robert Dutton
Part II uses examples to
illustrate how to build user-defined PDE systems in PROPHET.
Nano-Scale Device Simulations Using PROPHET-Part I: Basics
Part I covers the basics of PROPHET,
including the set-up of simulation structures and parameters based on
pre-defined PDE systems.
Nano-Scale Device Simulations Using PROPHET
These two lectures are aimed to give a practical guide to the use of a
general device simulator
(PROPHET) available on nanoHUB. PROPHET
is a partial differential equation (PDE) solver that...
Translational Molecular Imaging
20 Dec 2005 | Online Presentations | Contributor(s): Val J. Lowe
Ovarian Cancer: Progress and Challenge
20 Dec 2005 | Online Presentations | Contributor(s): Daniela Matei
Therapeutic Agent Delivery
20 Dec 2005 | Online Presentations | Contributor(s): Charles Erlichman