
Nanoelectronic Modeling Lecture 02: (NEMO) Motivation and Background
25 Jan 2010  Online Presentations  Contributor(s): Gerhard Klimeck, Dragica Vasileska
Fundamental device modeling on the nanometer scale must include effect of open systems, high bias, and an atomistic basis. The nonequilibrium Green Function Formalism (NEGF) can include all these...
http://nanohub.org/resources/8088

ABINIT: FirstTime User Guide
09 Jun 2009  Teaching Materials  Contributor(s): Benjamin P Haley
This firsttime user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We...
http://nanohub.org/resources/6874

NCN Nanomaterials: Simulation Tools for Education
02 Jun 2009  Series
http://nanohub.org/resources/6809

SUGARCube  Netlist Input Tool
29 Jan 2009  Tools  Contributor(s): Fengyuan Li, Jason Clark
Simulate the user input netlist by SUGAR2.0
http://nanohub.org/resources/sugarnl

ECE 612 Lecture 21: On Becoming a True Technology Developer
02 Dec 2008  Online Presentations  Contributor(s): Mark Lundstrom
http://nanohub.org/resources/5926

Purdue School on High Performance and Parallel Computing
24 Nov 2008  Workshops  Contributor(s): Alejandro Strachan, Faisal Saied
The goal of this workshop is to provide training in the area of high performance scientific computing for graduate students and researchers interested in scientific computing. The School will...
http://nanohub.org/resources/5666

Thermoelectric Power Factor Calculator for Nanocrystalline Composites
21 Oct 2008  Tools  Contributor(s): Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using NonEquilibrium Green's Functions
http://nanohub.org/resources/nccpf

SUGARCube  Cantilever
03 Oct 2008  Tools  Contributor(s): Fengyuan Li, Brandon Patterson, Jason Clark, yi zeng
Cantilever modeling and simulation with different loads
http://nanohub.org/resources/sugar

Northwestern University Initiative for Teaching Nanoscience
20 Aug 2008  Tools  Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
http://nanohub.org/resources/nuitns

Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D
15 Aug 2008  Tools  Contributor(s): Michael Waters, R. Edwin García, Alex Bartol
Simulates the TimeDependent Segregation of Two Chemical Components
http://nanohub.org/resources/vkmlsd3d

Virtual Kinetics of Materials Laboratory : Spinodal Decomposition
15 Aug 2008  Tools  Contributor(s): Michael Waters, Alex Bartol, R. Edwin García
Applies the Classic CahnHilliard Equation to Simulate the Chemical Segregation of Two Phases (2D)
http://nanohub.org/resources/vkmlsd

Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I
20 May 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
This lecture provides and introduction to Quantum Monte Carlo methods. We review the concept of electron correlation and introduce Variational Monte Carlo methods as an approach to going beyond...
http://nanohub.org/resources/4564

Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II
20 May 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
This is our second lecture in a series on Quantum Monte Carlo methods. We describe the Diffusion Monte Carlo approach here, in which the approximation to the solution is not restricted by choice...
http://nanohub.org/resources/4566

Computational Nanoscience, PopQuiz
20 May 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
This quiz summarizes the most important concepts which have covered in class so far related to Molecular Dynamics, Classical Monte Carlo Methods, and Quantum Mechanical Methods.University of...
http://nanohub.org/resources/4568

Computational Nanoscience, PopQuiz Solutions
20 May 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
The solutions to the popquiz are given in this handout.University of California, Berkeley
http://nanohub.org/resources/4570

Computational Nanoscience, Lecture 23: Modeling Morphological Evolution
20 May 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
In this lecture, we present an introduction to modeling the morphological evolution of materials systems. We introduce concepts of coarsening, particlesize distributions, the...
http://nanohub.org/resources/4572

Computational Nanoscience, Lecture 26: Life Beyond DFT  Computational Methods for Electron Correlations, Excitations, and Tunneling Transport
20 May 2008  Teaching Materials  Contributor(s): Jeffrey B. Neaton
In this lecture, we provide a brief introduction to "beyond DFT" methods for studying excited state properties, optical properties, and transport properties. We discuss how the GW approximation...
http://nanohub.org/resources/4574

Computational Nanoscience, Lecture 27: Simulating Water and Examples in Computational Biology
20 May 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
In this lecture, we describe the challenges in simulating water and introduce both explicit and implicit approaches. We also briefly describe protein structure, the Levinthal paradox, and...
http://nanohub.org/resources/4576

Computational Nanoscience, Lecture 28: WishList, Reactions, and XRays.
20 May 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
After a brief interlude for class feedback on the course content and suggestions for next semester, we turn to modeling chemical reactions. We describe chainofstate methods such as the Nudged...
http://nanohub.org/resources/4578

Computational Nanoscience, Lecture 29: Verification, Validation, and Some Examples
20 May 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
We conclude our course with a lecture of verification, and validation. We describe what each of these terms means, and provide a few recent examples of nanoscale simulation in terms of these...
http://nanohub.org/resources/4580