
Scaffolding Simulations in a Rate Processes of Materials Course
16 Aug 2018  Contributor(s):: Susan P Gentry
This learning resource describes a set of programming assignments that are used in a Rate Processes of Materials course. The assignments are designed around the pedagogical principle of scaffolding, in which students are given initial support structures that are gradually removed. The...

Dibya Prakash Rai
http://nanohub.org/members/187116

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

Matthew Glen Robertson
http://nanohub.org/members/149764

ECE 595E Numerical Simulations for Energy Applications
17 Jan 2013   Contributor(s):: Peter Bermel

Applicationdriven CoDesign: Using Proxy Apps in the ASCR Materials CoDesign Center
31 May 2012   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 specific models in between. In this talk, we will review this suite and the motifs used in each of...

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   Contributor(s):: Mark Lundstrom
Presentation made at the Workshop to Develop the Global Nanotechnology Network, Grenoble, France.

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

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

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

Purdue School on High Performance and Parallel Computing
24 Nov 2008   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 address current hardware and software technologies and trends for parallel computing and their...

Thermoelectric Power Factor Calculator for Nanocrystalline Composites
18 Oct 2008   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

Northwestern University Initiative for Teaching Nanoscience
12 Aug 2008   Contributor(s):: Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.

Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D
04 Aug 2008   Contributor(s):: Michael Waters, R. Edwin Garcia, Alex Bartol
Simulates the TimeDependent Segregation of Two Chemical Components

Virtual Kinetics of Materials Laboratory : Spinodal Decomposition
29 Jul 2008   Contributor(s):: Michael Waters, Alex Bartol, R. Edwin Garcia
Applies the Classic CahnHilliard Equation to Simulate the Chemical Segregation of Two Phases (2D)

Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I
15 May 2008   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 the mean field approximation. We describe briefly the SlaterJastrow expansion of the wavefunction,...

Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II
15 May 2008   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 of a functional form for the wavefunction. The DMC approach is explained, and the fixed node...

Computational Nanoscience, PopQuiz
15 May 2008   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 California, Berkeley