Welcoming Remarks
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24 Nov 2008 | Online Presentations | Contributor(s): Alejandro Strachan
Opening remarks for the Purdue School on High Performance and Parallel Computing.
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 Computación Científica Apolo y Proyecto 50, recibimos a Alejandro Strachan, profesor de la Universidad de Purdue, quien nos dio la oportunidad de reflexionar sobre qué es una...
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 focusing on the physics and approximations underlying the simulations and interpretation of their results.
Tutorial 1: Atomistic Material Science - ab initio simulations of materials
This lecture introduces first principles electronic structure calculations of materials properties.It describes the approximations made to the many-body Schrodinger equation in Hartree Fock and Density Functional Theory and numerical approximations used in computer simulations.
Summer Research Opportunities II
09 Feb 2024 | Online Presentations | Contributor(s): Kendrick Davis, Janelle P Wharry, James Hewlett, T.J. Sego, Alejandro Strachan, Kat Nykiel, James A Glazier, Hayden Fennell, The Micro Nano Technology - Education Center
Learn about more summer research opportunities that are available for MNT-CURN students.
Structure-Force Field Generator for Molecular Dynamics Simulations
07 Aug 2017 | Online Presentations | Contributor(s): Carlos Miguel Patiño, Lorena Alzate-Vargas, Alejandro Strachan
Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and the necessity of new and improved materials. Despite this, first principle simulations of large molecules are still not possible because the high computational time and...
SimTools: Delivering Simulations in the Era of Abundant Data
04 Jun 2021 | Online Presentations | Contributor(s): Alejandro Strachan
This presentation introduces SimTool, a library that allows developers to create, publish, and share reproducible workflows with well-defined and verified inputs and outputs.
SCALE Dissemination and Online Resources
14 Jul 2023 | Online Presentations | Contributor(s): Alejandro Strachan
Running MD on the nanoHUB: The nano-MATERIALS Simulation Toolkit
13 Nov 2008 | Online Presentations | Contributor(s): Alejandro Strachan
A quick demostration of the nanoHUB tool: nano-Materials Simulation Toolkit.
Predictive Simulations of Materials and Devices with Quantified Uncertainties
11 Feb 2016 | Online Presentations | Contributor(s): Alejandro Strachan
Predictive Simulations of Materials & nanoHUB Simulations
11 Oct 2018 | Online Presentations | Contributor(s): Alejandro Strachan
This talk will discuss state of the art methods for atomistic simulations and exemplify their application for the computational design of full-density metallic metamaterials with ultra-low stiffness. Stiffness about an order of magnitude smaller than possible to date is achieved via the...
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...
nanoHUB: AI, Data, and Simulations for Students, Researchers and Instructors
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11 Jan 2024 | 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 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...
nano-Materials Simulation Toolkit Quick Demo
18 Oct 2008 | Online Presentations | Contributor(s): Alejandro Strachan
Demonstraton of the nanoHUB tool "nano-Materials Simulation Toolkit."
Multi-Scale Quantum Simulations of Conductive Bridging RAM
02 Nov 2015 | Online Presentations | Contributor(s): Michael Povolotskyi, nicolas onofrio, David M Guzman, Alejandro Strachan, Gerhard Klimeck
IWCE 2015 presentation.
MSE 597G: An Introduction to Molecular Dynamics
MSE 597G Lecture 7: Advanced Techniques for Molecular Dynamics Simulations
12 Nov 2008 | Online Presentations | Contributor(s): Alejandro Strachan
Thermostats and barostats,Linear methods for energy and force calculations,Coarse graining or mesodynamics,Validation and Verification.
MSE 597G Lecture 6: Interatomic potentials III
Reactive force fields,Parameterization of interatomic potentials
MSE 597G Lecture 5: Interatomic potentials II
Embedded atom model for metals,Three body terms for semiconductors: Stillinger-Weber,Electrostatics and Covalent interactions.
MSE 597G Lecture 4: Interatomic potentials I
14 Nov 2008 | Online Presentations | Contributor(s): Alejandro Strachan
Interatomic potentials: pairwise potentials.
MSE 597G Lecture 3: Statistical Mechanics II
Basic physics: statistical mechanics, Algorithms: Integrating the equations of motion.
MSE 597G Lecture 2: Statistical Mechanics I
11 Nov 2008 | Online Presentations | Contributor(s): Alejandro Strachan
Basic physics: statistical mechanics.