
Muhammad Rashid
Computational Material science and find the various properties using various DFT codes.
http://nanohub.org/members/175317

getahun walelign Ayele
http://nanohub.org/members/156582

ECE 595E Numerical Simulations for Energy Applications
17 Jan 2013  Courses  Contributor(s): Peter Bermel
http://nanohub.org/resources/16570

Applicationdriven CoDesign: Using Proxy Apps in the ASCR Materials CoDesign Center
31 May 2012  Online Presentations  Contributor(s): Jim Belak
Computational materials science is performed with a suite of applications that span the quantum mechanics of interatomic bonding to the continuum mechanics of engineering problems and phenomenon...
http://nanohub.org/resources/14149

D Ray Johnson
Retired from ORNL Materials Science and Technology Division after 37 years.
http://nanohub.org/members/54782

NCN, nanoHUB, HUBzero: cyberinfrastructure for nanotechnology
10 Feb 2011  Online Presentations  Contributor(s): Mark Lundstrom
Presentation made at the Workshop to Develop the Global Nanotechnology Network, Grenoble, France.
http://nanohub.org/resources/8996

Goranka Bilalbegovic
http://nanohub.org/members/45672

Computer in Science Engineering: featuring nanoHUB.org
22 Apr 2010  Papers
The current issue of Computing in Science and Engineering focuses on cyberenabled nanotechnology, and nanoHUB.org is featured extensively throughout.
http://nanohub.org/resources/8881

Chunyu Li
http://nanohub.org/members/34504

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

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