
ab initio simulations with ORCA
28 Jul 2015  Tools  Contributor(s): nicolas onofrio, Alejandro Strachan
ab initio and density functional theory calculations in molecules

Nanomaterial mechanics explorer
30 Jun 2015  Tools  Contributor(s): Michael N Sakano, shuhui tang, Alexis Belessiotis, Mitchell Anthony Wood, Sam Reeve, Alejandro Strachan
Simulate dislocation movement, crack propagation, nanowire tensile tests, and simple phase...

DFT Material Properties Simulator
21 Jul 2015  Tools  Contributor(s): Usama Kamran, David M Guzman, Alejandro Strachan
Compute electronic and mechanical properties of materials from DFT calculations with 1Click

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...

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

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...

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...

Tensile Testing of Nanoscale and Macroscale Metal Samples
25 Mar 2015  Teaching Materials  Contributor(s): Aisling Coughlan, Kenda Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A DiefesDux
This document is a sophomore materials science and engineering tensile testing laboratory...

Reproducing DFT calculations of Al2O3/GaAs interface structure and Fermi level pinning
18 Mar 2015  Presentation Materials  Contributor(s): Alejandro Strachan
The goal of this resource is to demonstrate how to reproduce the results of the following...

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...

Crack Propagation Simulation
06 Aug 2014  Tools  Contributor(s): hojin kim, Nilofer Rajpurkar, Benjamin P Haley, Alejandro Strachan
Simulate crack propagations through materials under applied loads.

Homework assignment: learning about elastic constants via molecular dynamics simulations
11 Mar 2015  Teaching Materials  Contributor(s): Alejandro Strachan, David Ray Johnson
In this homework assignment students will use molecular dynamics to compute the elastic...

Melting via molecular dynamics simulations
10 Mar 2015  Teaching Materials  Contributor(s): Alejandro Strachan
In this assignment you will use MD simulations to study melting in metals using the...

OnlineSimulation tutorial and assignment: bonding curves in H2 and He2 molecules
21 Feb 2015  Teaching Materials  Contributor(s): Alejandro Strachan
In this tutorial students will use density functional theory (DFT) calculations using the...

OnlineSimulation tutorial and assignment: electronic structure and spin in O2 molecule
21 Feb 2015  Teaching Materials  Contributor(s): Alejandro Strachan
In this tutorial students will use density functional theory (DFT) calculations using the...

OnlineSimulation tutorial and assignment: electronic structure and spin of the O atom
21 Feb 2015  Teaching Materials  Contributor(s): Alejandro Strachan
In this tutorial students will use density functional theory (DFT) calculations using the...

Creep deformation in RFMEMS
15 Jan 2015  Tools  Contributor(s): Marisol Koslowski, Alejandro Strachan, Gabriela Venturini, Diego Fernando Cifuentes Pardo, Guillermo Andres Roman
Simulates creep deformation in fixed  fixed beam MEMS model

Gaussian process regression in 1D
26 Nov 2014  Tools  Contributor(s): Ilias Bilionis, Alejandro Strachan, Benjamin P Haley, Martin Hunt, Rohit Kaushal Tripathy, Sam Reeve
Use Gaussian processes to represent xy data

Continuous casting of weld filler wire
23 Oct 2014  Tools  Contributor(s): Kyle Fezi, Martin Hunt, Matthew John M. Krane, Benjamin P Haley, Alejandro Strachan
The steady state solidification of continuous casting of weld filler wire is predicted using a...

CoarseGrained Model of RF MEMS Device
22 Aug 2014  Tools  Contributor(s): Alina Alexeenko, Guoheng Chen, Derrick Kearney, Michael McLennan, Venkattraman Ayyaswamy, Gabriela Venturini, Alejandro Strachan
Dynamic model of RF MEMS Device under external loads and damping.

NanoHub Submit Scheme
25 Mar 2014  Presentation Materials  Contributor(s): Alejandro Gomez, Alejandro Strachan, Benjamin Haley, Steven Clark

Designing meaningful MD simulations: The lithiation of Silicon
25 Mar 2014  Presentation Materials  Contributor(s): Maria C Rincon, hojin kim, David Guzman, Alejandro Strachan

NanoPlasticity Lab
02 Aug 2013  Tools  Contributor(s): Martin Hunt, Lei Cao, Alejandro Strachan, Marisol Koslowski
A phase field approach to plastic deformation in nano crystalline materials

Tutorial 1: Atomistic Material Science  ab initio simulations of materials
03 Nov 2011  Online Presentations  Contributor(s): Alejandro Strachan
This lecture introduces first principles electronic structure calculations of materials...

Tutorial 2: Atomistic Material Science  Molecular Dynamics simulations of materials
03 Nov 2011  Online Presentations  Contributor(s): Alejandro Strachan
This lecture introduces the concept of molecular dynamics
(MD) simulations of materials...