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nanoHUB-U: From Atoms to Materials: Predictive Theory and Simulations
MSE 270: Atomistic Materials Science
EAFIT-Purdue: online simulations in engineering and science education
Atomistic View of Materials: Modeling & Simulation
Introduction to Uncertainty Quantification
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Uncertainty Quantification in Materials Modeling: Topics on Uncertainty Quantification
21 Mar 2016 | Workshops | Contributor(s): Alejandro Strachan
This is the seminar portion of the NCN and NEEDS 2015 Summer School consisting of presentations related to uncertainty quantification.
Predictive Simulations of Materials and Devices with Quantified Uncertainties
11 Feb 2016 | Online Presentations | Contributor(s): Alejandro Strachan
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.
MD simulations of shock loading
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11 Jun 2015 | Tools | Contributor(s): edwin alberto antillon, Mitchell Anthony Wood, Mathew Joseph Cherukara, Alejandro Strachan
Molecular Exploration Tool
01 Aug 2014 | Tools | Contributor(s): Xueying Wang, nicolas onofrio, Alejandro Strachan, David M Guzman
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Learning Module: Bonding and Band Structure in Silicon
Group Wiki Page:
The main goal of this learning module is to introduce students to the correlation between structure and electronic properties,and help them develop a more intuitive understanding of the origin of bands in a material.
The module consists of:
Two introductory lectures (50 minutes each) available...
Resources for Materials Science and Engineering
This is a draft accumulation of the electronic structure and molecular dynamics codes hosted on nanoHUB.
We will need to link properly to the tools and the supplemental material.
Electronic structure calculations performed by...
Molecular dynamics simulations of materials
= Molecular dynamics simulations of materials ==
By Alejandro Strachan
What is MD?
Molecular dynamics involves the numerical solution of the classical equations of motion (F=ma) for every single atom in material. The result is a very detailed description of the temporal evolution of the...
Learning Module: Atomic Picture of Plastic Deformation in Metals
The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive understanding of how materials work at molecular scales. The module consists of:
• Two introductory...
Purdue Workshop—Predictive materials modeling and simulations: nano- and micro-mechanics
This workshop will focus on recent progress and current challenges in the area of experimentally validated, predictive modeling of mechanical properties of nano- or micro-engineered materials. Areas of interest include micro- and nano-electromechanical devices and polymer...