Parsimonious neural networks
09 Jul 2020 | Tools | Contributor(s): Saaketh Desai, Alejandro Strachan
Design and train neural networks in conjunction with genetic algorithms to discover equations directly from data
Optimized Workflow for Electronic and Thermoelectric Properties
0.0 out of 5 stars
14 Aug 2017 | Tools | Contributor(s): Gustavo Javier, Austin Zadoks, David M Guzman, Alejandro Strachan
Uses Density Functional Theory (DFT) to extract electronic properties of materials and connects to the nanoHUB tool Landauer Transport Properties (LanTraP) for thermoelectric calculations.
OpenKIM Explorer
09 Jun 2015 | Tools | Contributor(s): Dan Karls, Benjamin P Haley, Alejandro Strachan, Ryan S Elliott, Ellad B Tadmor
Run interatomic potentials from the OpenKIM Repository in LAMMPS
OnlineSimulation tutorial and assignment: electronic structure and spin of the O atom
18 Feb 2015 | Teaching Materials | Contributor(s): Alejandro Strachan
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure of the oxygen atom. The tutorial shows how to compute energy for the spin 1 (triplet) and spin 0 (singlet) states and analyze the exchange...
OnlineSimulation tutorial and assignment: electronic structure and spin in O2 molecule
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure and bonding in the O2 molecular. The tutorial shows how to predict the relaxed bond distance in O2 (i.e. minimum energy structure) both for...
OnlineSimulation tutorial and assignment: bonding curves in H2 and He2 molecules
2.5 out of 5 stars
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study bonding in two simple molecules: H2 and He2. The tutorial shows how to compute energy as a function of bond distance and extract the equilibrium bond distance and bond...
No-code ML models
13 Oct 2022 | Tools | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan
Neural Network Visualization Tool
03 Dec 2019 | Tools | Contributor(s): David Enrique Farache, Alejandro Strachan, Juan Carlos Verduzco Gastelum, Saaketh Desai
Develops a graph of the neural network that can be manipulated to isolate data
Nanoscale Tensile Testing with Molecular Dynamics
21 Feb 2019 | Teaching Materials | Contributor(s): Sam Reeve, Alejandro Strachan
In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB of single-crystal copper nanowires under uniaxial tension of varying orientations and analyze the results in order to: Observe how slip planes in single-crystal nanowires are formed and...
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
nanoMATERIALS SeqQuest DFT
04 Feb 2008 | Tools | Contributor(s): Ravi Pramod Kumar Vedula, Greg Bechtol, Benjamin P Haley, Alejandro Strachan
DFT calculations of materials
nanoMATERIALS nanoscale heat transport
03 Nov 2010 | Tools | Contributor(s): Keng-Hua Lin, Sean Sullivan, Mathew Joseph Cherukara, Alejandro Strachan, Tianli Feng, Xiulin Ruan, Bo Qiu
Non-equilibrium MD simulations of heat transport in nano-materials
Nanomaterial Mechanics Explorer
3.5 out of 5 stars
30 Jun 2015 | Tools | Contributor(s): Sam Reeve, Christopher Chow, Michael N Sakano, shuhui tang, Alexis Belessiotis, Mitchell Anthony Wood, Kiettipong Banlusan, Saaketh Desai, Alejandro Strachan
Simulate dislocation dynamics, crack propagation, nanowire tensile tests, and phase transitions
nanoHUB: Online Simulation and Data
24 Sep 2020 | Presentation Materials | Contributor(s): Alejandro Strachan
These slides introduce nanoHUB, an open platform for online simulations and collaboration.
nanoHUB: Cloud Scientific Computing in Materials Education and Research
31 Aug 2015 | 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...
nanoHUB: AI, Data, and Simulations for Students, Researchers and Instructors
5.0 out of 5 stars
05 Dec 2023 | Online Presentations | Contributor(s): Alejandro Strachan, The Micro Nano Technology - Education Center
This talk will introduce nanoHUB resources for physics-based simulations, machine learning, and collaboration that can be used by students and instructors in research and education.
nanoHUB: Accelerating Innovation via User-Friendly, Online Apps, Tools, and Data
20 Jul 2020 | Online Presentations | Contributor(s): Alejandro Strachan, Gerhard Klimeck, Jared Gray West, Joseph M. Cychosz
Learn about the recent technological breakthroughs that are changing how simulations and the associated data are consumed and making simulation and data pervasive. From instant feedback via our simulation cache, to enabling the exploration of community generated results and machine learning...
nanoHUB.org: Immersive Online Semiconductor Education and Workforce Development with Broad Academic Adoption
02 Feb 2022 | Online Presentations | Contributor(s): Gerhard Klimeck, Daniel Mejia, Alejandro Strachan, Lynn Zentner, Michael Zentner
Over 150,000 nanoHUB users have run over 7 million simulations in browsers. Most nanoHUB apps deal with semiconductor device and materials modeling. These apps provide very simple and intuitive interfaces to community codes that are hard to install, operate, and to maintain even for experts. As...
NanoHub Submit Scheme
25 Mar 2014 | Presentation Materials | Contributor(s): Alejandro Gomez, Alejandro Strachan, Benjamin Haley, Steven Clark
nanoHUB R&D 100 Award Submission Video
05 Mar 2021 | Online Presentations | Contributor(s): Gerhard Klimeck, Alejandro Strachan
We at nanoHUB would like to thank our users and content contributors as well as our partners at Purdue University and elsewhere around the globe for all the support they have given us over the years. We couldn’t have done it without you.Purdue University nanoHUB.org, a web platform for...
nanoHUB Guide for Developers: Why Publish in nanoHUB?
07 Feb 2023 | Presentation Materials | 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: Types of Tools and Apps
nanoHUB Guide for Developers: Tool Publication Process
10 Mar 2023 | Teaching Materials | Contributor(s): Tanya Faltens, Alejandro Strachan
This is part 5 of the nanoHUB getting started guide for tool developers, covering how to register, deploy, test and publish a tool
nanoHUB Guide for Developers: Sim2Ls FAIR Workflows and Data
nano-Materials Simulation Toolkit Quick Demo
18 Oct 2008 | Online Presentations | Contributor(s): Alejandro Strachan
Demonstraton of the nanoHUB tool "nano-Materials Simulation Toolkit."