
Introduction to Molecular Dynamics
21 Apr 2015  Online Presentations  Contributor(s): Alejandro Strachan
This short presentation will describe the idea behind MD simulations and demonstrate its use in real applications.

Preparing for the Future of Computing: The DOE/ASCR Materials CoDesign Center
08 Apr 2015  Online Presentations  Contributor(s): Jim Belak
The advent of Advanced / Additive Manufacturing and the Materials Genome Initiative has placed significant emphasis on accelerating the qualification of new materials for use in real applications. Within these workflows lies both the engineering scale qualification through building and testing...

Atomistic Simulations of Materials Chemistry: From Nanoelectronics to Energetics
07 Apr 2015  Online Presentations  Contributor(s): Alejandro Strachan
Presentation slides with embedded videos are available for download. Please see the Support Docs tab.

Reproducing results of "Thermal transport in SiGe superlattice thin films and nanowires"
27 Mar 2015  Papers  Contributor(s): Alejandro Strachan, Jonathan Mark Dunn
In this document we show how to reproduce results in the paper "Thermal transport in SiGe superlattice thin films and nanowires", Kenghua Lin, and Alejandro Strachan Physical Review B 87, 115302 (2011) using the nanoMATERIALS nanoscale heat transport tool in nanoHUB....

Reproducing results from "PUQ: a code for nonintrusive uncertainty propagation in computer simulations"
27 Mar 2015  Papers  Contributor(s): Martin Hunt, Marisol Koslowski, Alejandro Strachan
In this document we use the nanoPLASTICITY in nanoHUB to reproduce results of the paper "PUQ: a code for nonintrusive uncertainty propagation in computer simulations" to be published in Computer Physics Communications. The paper abstract follows. We present a software package for the...

Projectile Motion Example Tool
26 Mar 2015  Tools  Contributor(s): Martin Hunt
Basic physics example for use with learning Rappture and UQ

Tensile Testing of Nanoscale and Macroscale Metal Samples
25 Mar 2015  Teaching Materials  Contributor(s): Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A DiefesDux
This document is a sophomore materials science and engineering tensile testing laboratory handout (Fall 2014) that introduces students to the atomiclevel processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...

System of Systems Analytic Workbench Toolset
23 Mar 2015  Tools  Contributor(s): Daniel A Delaurentis, Karen Marais, Navindran Davendralingam, Cesare Guariniello, Payuna Uday, Zhemei Fang, Demetrios Katsaduros, Rakshit Chandrahasa
This is a toolset including different methods to support system of systems development and analysis.

A computational method for rapid prediction of amyloid betafibril structures
23 Mar 2015  Tools  Contributor(s): Hamed Tabatabaei Ghomi, Markus A. Lill
A computational method for rapid prediction of amyloid betafibril structures

HyperSpy Online Tool
10 Jun 2015  Tools  Contributor(s): Scott Mullen, Chang Wan Han, Volkan Ortalan
Hyperspectral data (e.g., Electron energy loss spectrum image and Xray energy dispersive spectrum image) analysis and processing software

Rayleigh Scattering: Consequences of Rayleigh Scattering
17 Mar 2015  Online Presentations  Contributor(s): Christopher M. Sorensen
Raleigh Scattering, the scattering light by particles much smaller than the wavelength.

Uso de simulaciones en investigación y educación en ciencia e ingeniería
17 Mar 2015  Online Presentations  Contributor(s): Alejandro Strachan
En una colaboración entre la Escuela de Ingeniería de EAFIT, el Centro de Computación Científica Apolo y Proyecto 50, recibimos a Alejandro Strachan, profesor de la Universidad de Purdue, quien nos dio la oportunidad de reflexionar sobre qué es una...

Smarter Sensors: in Crop Production and Protection
17 Mar 2015  Online Presentations  Contributor(s): Ali Shakouri, Babak Ziaie

Quantum Optics in New Systems: From Plasmonics to Cold Atoms
17 Mar 2015  Online Presentations  Contributor(s): Alexey V Akimov
In my talk I will describe our activities in both field on quantum interfaces and cold atoms

MSE 498 Lesson 19: CALPHAD
17 Mar 2015  Online Presentations  Contributor(s): Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., ThermoCalc), finite...

MSE 498 Lesson 18: CALPHAD
17 Mar 2015  Online Presentations  Contributor(s): Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., ThermoCalc), finite...

MSE 498 Lesson 17: FEM
17 Mar 2015  Online Presentations  Contributor(s): Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., ThermoCalc), finite...

MSE 498 Lesson 16: FEM
17 Mar 2015  Online Presentations  Contributor(s): Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., ThermoCalc), finite...

MSE 498 Lesson 15: MD
17 Mar 2015  Online Presentations  Contributor(s): Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., ThermoCalc), finite...

MSE 498 Lesson 14: MD
17 Mar 2015  Online Presentations  Contributor(s): Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., ThermoCalc), finite...