
MD simulations of shock loading
29 Dec 2015  Tools  Contributor(s): edwin alberto antillon, Mitchell Anthony Wood, Mathew Joseph Cherukara, Alejandro Strachan
Use MD simulation to study shocks in various materials including metals and energetics
http://nanohub.org/resources/mdshocks

Molecular Exploration Tool
10 Dec 2015  Tools  Contributor(s): Xueying Wang, nicolas onofrio, Alejandro Strachan, David M Guzman
The tool can display the molecule structures and run Lammps simulations.
http://nanohub.org/resources/molexpl

Molecular Dynamics Showcase Builder
09 Nov 2015  Tools  Contributor(s): Michael McLennan, Nicholas K Kisseberth, George A. Howlett, Jim Slopsema, Aleksei Aksimentiev, ChenYu Li
Tool to create showcases for the Molecular Dynamics Showcase viewer.
http://nanohub.org/resources/mdshowbuilder

Nanomaterial Mechanics Explorer
19 Aug 2015  Tools  Contributor(s): Michael N Sakano, shuhui tang, Alexis Belessiotis, Mitchell Anthony Wood, Sam Reeve, Kiettipong Banlusan, Alejandro Strachan
Simulate dislocation dynamics, crack propagation, nanowire tensile tests, and phase transitions
http://nanohub.org/resources/nanomatmech

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...
http://nanohub.org/resources/22121

MSE 498 Lesson 10: 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...
http://nanohub.org/resources/22069

MSE 498 Lesson 11: 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...
http://nanohub.org/resources/22071

MSE 498 Lesson 12: 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...
http://nanohub.org/resources/22073

MSE 498 Lesson 13: 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...
http://nanohub.org/resources/22075

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...
http://nanohub.org/resources/22077

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...
http://nanohub.org/resources/22079

Crack Propagation Simulation
13 Mar 2015  Tools  Contributor(s): hojin kim, Nilofer Rajpurkar, Benjamin P Haley, Alejandro Strachan
Simulate crack propagations through materials under applied loads.
http://nanohub.org/resources/crackpropsim

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 constants of metals using an embedded atom model to describe atomic interactions. They will deform a...
http://nanohub.org/resources/21949

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 nanoMATERIALS simulation tool in nanoHUB. You will build a supercell and heat it up to study its melting. You...
http://nanohub.org/resources/22025

IMA 2013 UQ: Bayesian Calibration of Molecular Dynamics Simulations for Composite Materials Properties
28 May 2014  Online Presentations  Contributor(s): Paul N. Patrone
In this talk, I discuss ongoing research whose goal is to determine, via Bayesian inference, an ensemble of inputs that represents a class of commercially important aminecured epoxies. We...
http://nanohub.org/resources/20312

IMA 2013 UQ: DFTbased Thermal Properties: Three Levels of Error Management
02 Apr 2014  Online Presentations  Contributor(s): Kurt Lejaeghere
It is often computationally expensive to predict finitetemperature properties of a crystal from densityfunctional theory (DFT). The temperaturedependent thermal expansion coefficient α, for...
http://nanohub.org/resources/20311

Molecular Dynamics Showcase
14 Oct 2013  Tools  Contributor(s): Michael McLennan, ChenYu Li, john stone, Aleksei Aksimentiev
View interesting features of a molecular dynamics trajectory file
http://nanohub.org/resources/mdshowcase

[Illinois] Physics 550 Biomolecular Physics
05 Sep 2013  Courses  Contributor(s): Klaus Schulten, Taekjip Ha
Physical concepts governing the structure and function of biological macromolecules; general properties, spatial structure, energy levels, dynamics and functions, and...
http://nanohub.org/resources/19299

Crystalline Cellulose  Atomistic Toolkit
05 Aug 2013  Tools  Contributor(s): Mateo Gómez Zuluaga, Robert J. Moon, Fernando Luis Dri, Pablo Daniel Zavattieri
Crystalline Cellulose  Atomistic Toolkit
http://nanohub.org/resources/ccamt

Polymatic: A Simulated Polymerization Algorithm
26 Mar 2013  Downloads  Contributor(s): Lauren Abbott, Coray Colina
Polymatic is a set of codes for structure generation of amorphous polymers by a simulated polymerization algorithm. The main task of Polymatic is to perform polymerization steps within a system...
http://nanohub.org/resources/17278