
Lecture 3: Integration Algorithms
05 Jan 2010  Presentation Materials  Contributor(s): Ashlie Martini
Topics:
General guidelines
Verlet algorithm
Predictorcorrector methods
http://nanohub.org/resources/8118

Short Course on Molecular Dynamics Simulation
13 Oct 2009  Courses  Contributor(s): Ashlie Martini
This set of ten presentations accompanied a graduate level course on Molecular Dynamics simulation. The specific objective of the course (and the presentations) is to provide:
1. Awareness of...
http://nanohub.org/resources/7570

Illinois ECE 498AL: Programming Massively Parallel Processors, Lecture 15: Kernel and Algorithm Patterns for CUDA
30 Sep 2009  Online Presentations  Contributor(s): WenMei W Hwu
Kernel and Algorithm Patterns for CUDA
Topics:
Reductions and Memory Patterns
Reduction Patterns in CUDA
Mapping Data into CUDA's Memories
Input/Output Convolution
Generic Algorithm...
http://nanohub.org/resources/7442

Illinois ECE 498AL: Programming Massively Parallel Processors, Lecture 13: Reductions and their Implementation
15 Sep 2009  Online Presentations  Contributor(s): WenMei W Hwu
Structuring Parallel Algorithms
Topics:
Parallel Reductions
Parallel Prefix Sum
Relevance of Scan
Application of Scan
Scan on the CPU
First attempt Parallel Scan Algorithm
Work...
http://nanohub.org/resources/7376

Illinois ECE 498AL: Programming Massively Parallel Processors, Lecture 12: Structuring Parallel Algorithms
15 Sep 2009  Online Presentations  Contributor(s): WenMei W Hwu
Structuring Parallel Algorithms
Topics:
Key Parallel Programming Steps
Algorithms
Choosing Algorithm Structure
Mapping a Divide and Conquer algorithm
Tiled Algorithms
Increased work...
http://nanohub.org/resources/7372

Experiment vs. Modelling: What's the problem?
10 Aug 2009  Online Presentations  Contributor(s): William L. Barnes
Progress in plasmonics has been greatly assisted by developments in
experimental techniques and in numerical modelling. This talk will
look at some of the difficulties that emerge when...
http://nanohub.org/resources/6856

Quantitative, Kinetic Models of Cellular Circuits
04 Apr 2009  Online Presentations  Contributor(s): Michael R. Brent
Living cells contain complex, analog circuits that regulate the rate at which each gene produces its product. The kinetic properties of these circuits enable cells to respond to changes in their...
http://nanohub.org/resources/6374

The Multicore Era: Crisis or (and?) Opportunity?
27 Mar 2009  Online Presentations  Contributor(s): Mithuna Thottethodi
This talk will provide a brief overview of how we got to the multicore era, the implications and challenges for hardware/software developers and users, and some informed speculation on where the...
http://nanohub.org/resources/6523

Experiences with nonintrusive polynomial Chaos and stochastic collocation methods for uncertainty analysis and design
13 Mar 2009  Online Presentations  Contributor(s): Michael S. Eldred
Non—intrusive polynomial chaos expansion (PCE) and stochastic collocation (SC) methods are attractive
techniques for uncertainty quantification due to their abilities to produce functional...
http://nanohub.org/resources/5910

Nanoparticle and Colloidal Simulations with Molecular Dynamics
05 Dec 2008  Online Presentations  Contributor(s): Steve Plimpton
Modeling nanoparticle or colloidal systems in a molecular dynamics (MD) code requires coarsegraining on several levels to achieve meaningful simulation times for study of rheological and other...
http://nanohub.org/resources/5668

OpenMP Tutorial
25 Nov 2008  Online Presentations  Contributor(s): SeungJai Min
This tutorial consists of three parts. First, we will discuss about
how OpenMP is typically used and explain OpenMP programming model. Second, we will describe important OpenMP constructs and...
http://nanohub.org/resources/5874

Purdue School on High Performance and Parallel Computing
24 Nov 2008  Workshops  Contributor(s): Alejandro Strachan, Faisal Saied
The goal of this workshop is to provide training in the area of high performance scientific computing for graduate students and researchers interested in scientific computing. The School will...
http://nanohub.org/resources/5666

Introduction to Parallel Programming with MPI
24 Nov 2008  Online Presentations  Contributor(s): David Seaman
Singlesession course illustrating messagepassing techniques. The examples include pointtopoint and collective communication using blocking and nonblocking transmission. One application...
http://nanohub.org/resources/5932

Software Productivity Tools
24 Nov 2008  Online Presentations  Contributor(s): David Seaman
This presentation briefly describes the use of tar(1), make(1), the
Portable Batch System (PBS), and two version control systems: CVS and subversion.
http://nanohub.org/resources/5937

Introduction to TotalView
24 Nov 2008  Online Presentations  Contributor(s): David Seaman
This singlesession course presents an introduction to the use of the TotalView parallel debugger available on Purdue's Linux systems.
http://nanohub.org/resources/5942

Quantum and Thermal Effects in Nanoscale Devices
18 Sep 2008  Online Presentations  Contributor(s): Dragica Vasileska
To investigate lattice heating within a Monte Carlo device simulation framework, we simultaneously solve the Boltzmann transport equation for the electrons, the 2D Poisson equation to get the...
http://nanohub.org/resources/5448

An Introduction to Quantum Computing
12 Sep 2008  Online Presentations  Contributor(s): Edward Gerjuoy
Quantum mechanics, as formulated more than 80 years ago by Schrodinger, Heisenberg, Dirac and other greats, is a wholly sufficient foundation for its modern interrelated subfields of quantum...
http://nanohub.org/resources/4778

BNC Annual Research Review: An Introduction to PRISM and MEMS Simulation
04 Jun 2008  Online Presentations  Contributor(s): Jayathi Murthy
This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the...
http://nanohub.org/resources/4717

Calculating Resonances Using a Complex Absorbing Potential
14 Mar 2008  Online Presentations  Contributor(s): Robin Santra
The Siegert (or Gamow) wave function associated with a resonance state is exponentially divergent at large distances from the scattering target. A complex absorbing potential (CAP) provides a...
http://nanohub.org/resources/4143

Nanoelectronic Modeling: Multimillion Atom Simulations, Transport, and HPC Scaling to 23,000 Processors
07 Mar 2008  Online Presentations  Contributor(s): Gerhard Klimeck
Future field effect transistors will be on the same length scales as “esoteric” devices such as quantum dots,
nanowires, ultrascaled quantum wells, and resonant tunneling diodes. In those...
http://nanohub.org/resources/3988