Welcoming Remarks
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Online Presentations | 24 Nov 2008 | Contributor(s): Alejandro Strachan
Opening remarks for the Purdue School on High Performance and Parallel Computing.
Visualization Dashboard for MPCAs
Tools | 09 Mar 2022 | Contributor(s): Juan Carlos Verduzco Gastelum, Zachary D McClure, Alejandro Strachan
Sim2L Visualization Dashboard for Multi-Principal Component Allloys
VASP ingestor
Tools | 20 Feb 2023 | Contributor(s): Kat Nykiel, Alejandro Strachan
Convert an atomate2 TaskDocument of VASP data to an interpretable set of features
Vacancy Formation Energy with MD
Tools | 03 May 2017 | Contributor(s): Sam Reeve, Alejandro Strachan
Calculate vacancy formation energy with molecular dynamics and various atomic interaction models
Uso de simulaciones en investigación y educación en ciencia e ingeniería
Online Presentations | 16 Mar 2015 | 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...
Unsupervised learning using dimensionality reduction via matrix decomposition
Tools | 01 Apr 2020 | Contributor(s): Michael N Sakano, Alejandro Strachan
Learn PCA and NMF via chemistry example
Uncertainty Quantification in Materials Modeling: Topics on Uncertainty Quantification
Workshops | 04 Dec 2015 | Contributor(s): Alejandro Strachan
This is the seminar portion of the NCN and NEEDS 2015 Summer School consisting of presentations related to uncertainty quantification.
Tutorial 2: Atomistic Material Science - Molecular Dynamics simulations of materials
Online Presentations | 25 Aug 2011 | 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.
Thermo-Calc Educational Package
Tools | 19 Feb 2021 | Contributor(s): Paul Mason, Alejandro Strachan
The SCALE Workforce Development Model
Papers | 30 Apr 2024 | Contributor(s): Kerrie Douglas, Tamara J. Moore, Melissa A Dyehouse, Alejandro Strachan, Peter Bermel
The Scalable Asymmetric Lifecycle Engagement (SCALE) microelectronics workforce development program is funded by the United States Department of Defense (DoD) to address the critical shortage of a capable microelectronics workforce.
Test Tool for Neural Network Reactive Force Field for CHNO systems
Tools | 30 Apr 2020 | Contributor(s): Pilsun Yoo, Saaketh Desai, Michael N Sakano, Peilin Liao, Alejandro Strachan
Run molecular dynamics and Do testing using the neural network reactive force field for HE materials
TensorFlow Tutorials
Tools | 28 Sep 2018 | Contributor(s): Juan Carlos Verduzco Gastelum, Saaketh Desai, Alejandro Strachan
Ready-to-run Jupyter notebooks for machine learning using Tensorflow and Keras
Tensile Testing of Nanoscale and Macroscale Metal Samples
Teaching Materials | 25 Mar 2015 | Contributor(s): Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A Diefes-Dux
This document is a sophomore materials science and engineering tensile testing laboratory handout (Fall 2014) that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...
Tensile Testing Laboratory: Nanoscale and Macroscale Metal Samples
Teaching Materials | 24 Nov 2015 | Contributor(s): Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A Diefes-Dux
This document is an updated (Fall 2015) sophomore materials science and engineering tensile testing laboratory handout that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...
Synopsys TCAD
Tools | 01 Apr 2024 | Contributor(s): Ali Shamsapour, Harish Balan, Jesse Flores, Steven Clark, Juan Carlos Verduzco Gastelum, Alejandro Strachan
TCAD using Synopsys EDA
Synopsys digital design
Tools | 01 Apr 2024 | Contributor(s): Harish Balan, Ali Shamsapour, Jesse Flores, Steven Clark, Juan Carlos Verduzco Gastelum, Alejandro Strachan
Digital design using Synopsys EDA
Summer Research Opportunities II
Online Presentations | 31 Jan 2024 | 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
Online Presentations | 01 Aug 2017 | 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...
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...
Solving the 2D Ising Model
Tools | 01 Nov 2022 | Contributor(s): Ava Hallberg, George Maxwell Nishibuchi, Kat Nykiel, Alejandro Strachan
Using Markov Chain Monte Carlo Method to visualize magnetism via Ising Model
SimTools: Delivering Simulations in the Era of Abundant Data
Online Presentations | 04 Jun 2021 | 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.
Simplified Apps
Labs | 15 Sep 2020 | Contributor(s): Daniel Mejia, Gerhard Klimeck, Alejandro Strachan
Sim2L Results Explorer
Tools | 06 Feb 2023 | Contributor(s): Juan Carlos Verduzco Gastelum, Alejandro Strachan
GUI for exploration of sim2l results in our resultsDB, allows for simple visualizations and query generation
SCALE RH Machine-learning Based Optimization of Materials for Microelectronics
Online Presentations | 16 May 2024 | Contributor(s): Shrienidhi Gopalakrishnan, Vinay Gupta, Alejandro Strachan, Brian Hyun-jong Lee
The purpose of this research is to explore the topic of radiation damage and its effect on material degradation. The effects of radiation damage can be seen in many places, from nuclear systems to space. Current simulation techniques are both expensive and difficult to use. This project aims to...