
Atomic Picture of Plastic Deformation in Metals via Online Molecular Dynamics Simulations
01 Jun 2011  Courses  Contributor(s): Alejandro Strachan
The main goal of this learning module is to introduce students to the atomiclevel processes...

Atomic Picture of Plastic Deformation in Metals: Lab Assignment Handout
19 Jan 2010  Teaching Materials  Contributor(s): Alejandro Strachan
In this lab students will perform online molecular dynamics (MD) simulations of metallic...

Atomic Picture of Plastic Deformation in Metals: Overview Lecture
24 Jan 2010  Online Presentations  Contributor(s): Alejandro Strachan
The lecture describes the objectives of the learning module and provides the necessary...

Atomic Picture of Plastic Deformation in Metals: Prelab Lecture
24 Jan 2010  Online Presentations  Contributor(s): Alejandro Strachan
This lecture provides a detailed description of the activities the students will perform in the...

Atomistic Material Science
03 Nov 2011  Courses  Contributor(s): Alejandro Strachan
This course introduces first principles electronic structure calculations of materials...

Bio Composite Simulator
13 Oct 2011  Tools  Contributor(s): Sebastian Lee, Pablo Daniel Zavattieri, Alejandro Strachan
Simulation mechanical response of bio composites using rigid particles

CoarseGrained Model of RF MEMS Device
22 Aug 2014  Tools  Contributor(s): Alina Alexeenko, Guoheng Chen, Derrick Kearney, Michael McLennan, Venkattraman Ayyaswamy, Gabriela Venturini, Alejandro Strachan
Dynamic model of RF MEMS Device under external loads and damping.

Continuous casting of weld filler wire
23 Oct 2014  Tools  Contributor(s): Kyle Fezi, Martin Hunt, Matthew John M. Krane, Benjamin P Haley, Alejandro Strachan
The continuous casting of weld filler wire is simulated using a 1D finite volume method.

Designing meaningful MD simulations: The lithiation of Silicon
25 Mar 2014  Presentation Materials  Contributor(s): Maria C Rincon, hojin kim, David Guzman, Alejandro Strachan

DFT calculations with Quantum ESPRESSO
07 Jul 2010  Tools  Contributor(s): Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley
DFT calculations of molecules and solids

First Principlesbased Atomistic and Mesoscale Modeling of Materials
01 Dec 2005  Online Presentations  Contributor(s): Alejandro Strachan
This tutorial will describe some of the most powerful and widely used techniques for materials...

First PrinciplesBased Modeling of materials: Towards Computational Materials Design
20 Apr 2006  Online Presentations  Contributor(s): Alejandro Strachan
Molecular dynamics (MD) simulations with accurate, first principlesbased interatomic potentials...

Gaussian process regression in 1D
26 Nov 2014  Tools  Contributor(s): Ilias Bilionis, Alejandro Strachan, Benjamin P Haley, Martin Hunt, Rohit Kaushal Tripathy, Sam Reeve
Use Gaussian processes to represent xy data

Introduction: molecular dynamics simulations
09 Jan 2008  Online Presentations  Contributor(s): Alejandro Strachan
This short presentation
will describe the idea behind MD simulations and demonstrate its use...

Lecture 1: the theory behind molecular dynamics
09 Jan 2008  Online Presentations  Contributor(s): Alejandro Strachan
The first lecture will
provide a brief description of classical mechanics and statistical...

Lecture 2: total energy and force calculations
14 Jan 2008  Online Presentations  Contributor(s): Alejandro Strachan
This lecture will describe the various models
used to describe the interactions between atoms...

Lecture 3: simulation details and coarse grain approaches
09 Jan 2008  Online Presentations  Contributor(s): Alejandro Strachan
The last
presentation will describe simulation techniques to simulate materials
under...

Lectures on Molecular Dynamics Modeling of Materials
09 Jan 2008  Courses  Contributor(s): Alejandro Strachan
Molecular dynamics simulations are playing an increasingly important
role in many areas of...

Materials strength: does size matter? nanoMATERIALS simulation toolkit tutorial
01 Feb 2007  Online Presentations  Contributor(s): Alejandro Strachan
Molecular dynamics (MD) is a powerful technique to characterize the fundamental, atomiclevel...

MSE 597G An Introduction to Molecular Dynamics
13 Nov 2008  Courses  Contributor(s): Alejandro Strachan
The goal of this short course is to provide an introduction to the theory and algorithms behind...

MSE 597G Lecture 1: Classical Mechanics
11 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
Basic physics: classical...

MSE 597G Lecture 2: Statistical Mechanics I
11 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
Basic physics: statistical mechanics.

MSE 597G Lecture 3: Statistical Mechanics II
14 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
Basic physics: statistical mechanics, Algorithms: Integrating the equations of motion.

MSE 597G Lecture 4: Interatomic potentials I
14 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
Interatomic potentials: pairwise potentials.

MSE 597G Lecture 5: Interatomic potentials II
13 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
Embedded atom model for metals,
Three body terms for semiconductors:...