nanoHUB: Cloud Scientific Computing in Materials Education and Research
22 Jan 2016 | Online Presentations | Contributor(s): Alejandro Strachan
nanoHUB’s cyber-infrastructure empowers simulation tool developers to make their codes universally accessible and useful via cloud computing and empowers users who can run hundreds of tools using a web-browser or tablet, free of charge, and without the need to download or install any software nor to provide compute cycles.
Molecular Exploration Tool
01 Aug 2014 | Tools | Contributor(s): Xueying Wang, nicolas onofrio, Alejandro Strachan, David M Guzman
The tool can display the molecule structures and run Lammps simulations.
Tensile Testing Laboratory: Nanoscale and Macroscale Metal Samples
24 Nov 2015 | Teaching Materials | Contributor(s): Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A Diefes-Dux
This document is an updated (Fall 2015) sophomore materials science and engineering tensile testing laboratory handout that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with molecular dynamics (MD) simulations, the goal is to help students understand the relationship between macroscopic plastic behavior and the underlying atomic-level mechanisms that involve dislocation...
Multi-Scale Quantum Simulations of Conductive Bridging RAM
02 Nov 2015 | Online Presentations | Contributor(s): Michael Povolotskyi, nicolas onofrio, David M Guzman, Alejandro Strachan, Gerhard Klimeck
IWCE 2015 presentation.
ab initio simulations with ORCA
28 Jul 2015 | Tools | Contributor(s): nicolas onofrio, Alejandro Strachan
ab initio and density functional theory calculations dedicated to molecular systems