A MATLAB code for Hartree Fock calculation of H-H ground state bondlength and energy using STO-4G

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 system that accounts for the antisymmetric (fermion) nature of electronic wavefunction but does not account …

Video Authorization Form

30 Mar 2007 | Downloads

Thank you for considering to have your seminar or presentation taped by the nanoHUB team for online presentation. Please use this downloadable form to grant permission to record and to make your presentation available on the community website nanoHUB.org. This form may be signed or presented at …

Quantum Size Effects and the Need for SCHRED

23 Jun 2008 | Downloads | Contributor(s): Dragica Vasileska

In this paper we give a historical overview on the observation of quantum effects in nanoscale device (both experimental and theoretical ones). This overview puts in perspective the need for developing and using the SCHRED tool when modeling nanoscale devices. At the end of the document we briefly …

SCHRED Tutorial Version 2.1

23 Jun 2008 | Downloads | Contributor(s): Dragica Vasileska

The SCHRED tutorial via various examples explains the usage of SCHRED tool via the Rappture interface for modeling single-gate and dual-gate capacitors with either metal or polysilicon gates and using either semiclassical or quantum-mechanical charge description for either electrons or holes.This …

Nanotechnology applications roadmap for the Forest Products Industry

12 Aug 2008 | Downloads | Contributor(s): Steven L. Masia

Shows a mapping of potential nanotechnology applications in the forest products industrySteven L. MasiaNIST

MATLAB Scripts for "Quantum Transport: Atom to Transistor"

15 Mar 2005 | Downloads | Contributor(s): Supriyo Datta

Tinker with quantum transport models! Download the MATLAB scripts used to demonstrate the physics described in Supriyo Datta's book Quantum Transport: Atom to Transistor. These simple models are less than a page of code, and yet they reproduce much of the fundamental physics observed in experiments.

Animations of magnetic QCA operation

11 Dec 2007 | Downloads | Contributor(s): Dmitri Nikonov

Animations of an inverter and a majority gate operation for QCA logic for the paper "Simulation of highly idealized, atomic scale MQCA logic circuits" by Dmitri E. Nikonov, George I. Bourianoff, Paolo A. Gargini More detailed description to follow.

Molecular Workbench: An Interface to the Molecular World

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 engines that compute and visualize the motion of particles interacting through force fields, in both 2D and …

NANOTECH INDIA 2009

09 Apr 2009 | Downloads | Contributor(s): Charles Taylor Patrick Gillespie

PROMOTIONAL FLYER FOR UPCOMING INTERNATIONAL CONFERENCE ON NANOTECHNOLOGY GOKULAM PARK CONVENTION CENTER, COCHIN, INDIA AUGUST 14th - 16th 14th - Engineering and Materials 15th - Environmental Nanotechnology 16th - NanoMedicine and Allied Products www.nanotechindia.in NANOTECH INDIA …

nanoHUB Grid Appliance

21 Dec 2006 | Downloads | Contributor(s): Renato Figueiredo

The Grid appliance allows nanoHUB users to run a development "virtual workspace" in their own desktop. The workspace has a Linux-based virtual machine with Rappture, WebDAV and Condor pre-installed and pre-configured, encapsulating conveniently all the software needed to run these applications, …