
Tutorial 1: Atomistic Material Science  ab initio simulations of materials
03 Nov 2011  Online Presentations  Contributor(s): Alejandro Strachan
This lecture introduces first principles electronic structure calculations of materials...

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...

Uncertainty Quantification of Molecular Dynamics Simulations
31 Jan 2011  Online Presentations  Contributor(s): Alejandro Strachan
A full course, "Introduction to Uncertainty...

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...

Welcoming Remarks
24 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
Opening remarks for the Purdue School on High Performance and Parallel Computing.

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
14 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
Basic physics: statistical mechanics, Algorithms: Integrating the equations of motion.

Running MD on the nanoHUB: The nanoMATERIALS Simulation Toolkit
13 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
A quick demostration of the nanoHUB tool: nanoMaterials Simulation Toolkit.

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:...

MSE 597G: An Introduction to Molecular Dynamics
13 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan

MSE 597G Lecture 6: Interatomic potentials III
12 Nov 2008  Online Presentations  Contributor(s): Alejandro Strachan
Reactive force fields,
Parameterization of interatomic potentials

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...

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

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

nanoMaterials Simulation Toolkit Quick Demo
18 Oct 2008  Online Presentations  Contributor(s): Alejandro Strachan
Demonstraton of the nanoHUB tool "nanoMaterials Simulation Toolkit."

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 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 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...

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...

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...

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...

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...