nanoHUB Guide for Developers: Types of Tools and Apps
Presentation Materials | 07 Feb 2023 | Contributor(s): Alejandro Strachan
This presentation is part of the short course "Getting Started Guide for nanoHUB Tool and App Developers" which covers the following topics:Why publish tools & apps in nanoHUB?Various tool and app typesSim2Ls: FAIR workflows and dataApp...
nanoHUB Guide for Developers: Sim2Ls FAIR Workflows and Data
nanoHUB Guide for Developers: Why Publish in nanoHUB?
nanoHUB: Online Simulation and Data
Presentation Materials | 24 Sep 2020 | Contributor(s): Alejandro Strachan
These slides introduce nanoHUB, an open platform for online simulations and collaboration.
Machine Learning in Materials - Center for Advanced Energy Studies and Idaho National Laboratory
his hands-on tutorial will introduce participants to modern tools to manage, organize, and visualize data as well as machine learning techniques to extract information from it. ...
Structural Analysis for Molecular Dynamics Trajectories
Presentation Materials | 03 Mar 2019 | Contributor(s): Nicholas J Finan, Saaketh Desai, Sam Reeve, Alejandro Strachan
This tool reads in LAMMPS trajectories and performs the following analysis: Radial Distribution Function (RDF), X-Ray Diffraction (XRD), Vibrational Density of States, and (More to Come!). By default the tool requires trajectory files to be input by the user however there are some...
Electronic Structure and Transport Properties of Graphene on Hexagonal Boron Nitride
Presentation Materials | 06 Dec 2018 | Contributor(s): Shukai Yao, Luis Regalado Bermejo, Alejandro Strachan
Graphene is a zero-bandgap conductor with high carrier mobility. It is desired to search for an opening of band structure of graphene such that this kind of material can be applied in electronic devices. Depositing hexagonal Boron Nitride (h-BN) opens a bandgap in the band structure of...
Molecular Dynamics Simulation of Displacement Cascade in Molybdenum
Presentation Materials | 06 Dec 2018 | Contributor(s): Gyuchul Park, Alejandro Strachan
Displacement cascade in molybdenum was conducted by using Molecular Dynamics (MD) Simulation method. LAMMPS tool was used to run the simulation at nanoHUB. Three primary questions were answered from the simulation:1. The number of displaced atoms/interstitials with respect to time when the...
DFT Study of Anisotropic Elastic Property of LiCoO2 During Lithium Intercalation and Deintercalation Process
Presentation Materials | 06 Dec 2018 | Contributor(s): Lingbin Meng, Alejandro Strachan
Lithium cobalt oxide (LiCoO2) is a popular cathode material of lithium-ion batteries due to its excellent electrochemical properties. In this study, the anisotropic elastic property of LiCoO2 has been studied by comparing the ratio of C11 and C33 between LiCoO2 and CoO2. As a result, the...
Reproducing DFT calculations of Al2O3/GaAs interface structure and Fermi level pinning
Presentation Materials | 18 Mar 2015 | Contributor(s): Alejandro Strachan
The goal of this resource is to demonstrate how to reproduce the results of the following research paper using the nanoMATERIALS SeqQuest DFT simulation tool on nanoHUB. In addition to reproducing the paper's results, users can run variations of the simulation to explore the...
Designing meaningful MD simulations: The lithiation of Silicon
Presentation Materials | 25 Mar 2014 | Contributor(s): Maria C Rincon, hojin kim, David Guzman, Alejandro Strachan
NanoHub Submit Scheme
Presentation Materials | 25 Mar 2014 | Contributor(s): Alejandro Gomez, Alejandro Strachan, Benjamin Haley, Steven Clark