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Whether you're simulating the electronic structure of a carbon nanotube or the strain within an automobile part, the calculations usually boil down to a simple matrix equation, Ax = f. The faster you can fill the matrix A with the coefficients for your partial differential equation (PDE), and the faster you can solve for the vector x given a forcing function f, the faster you have your overall solution. Things get interesting when the matrix A is too large to fit in the memory available on one machine, or when the coefficients in A cause the matrix to be ill-conditioned.

Many different algorithms have been developed to map a PDE onto a matrix, to pre-condition the matrix to a better form, and to solve the matrix with blinding speed. Different algorithms usually exploit some property of the matrix, such as symmetry, to reduce either memory requirements or solution speed or both.

Learn more about algorithms from the many resources on this site, listed below.

Online Presentations (21-40 of 77)

  1. Software Productivity Tools

    This resource has a 6.2 Ranking

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    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.

    https://nanohub.org/resources/5937

  2. Introduction to TotalView

    This resource has a 6.3 Ranking

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    24 Nov 2008 | Online Presentations | Contributor(s): David Seaman

    This single-session course presents an introduction to the use of the TotalView parallel debugger available on Purdue's Linux systems.

    https://nanohub.org/resources/5942

  3. Quantum and Thermal Effects in Nanoscale Devices

    This resource has a 7.5 Ranking

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    Users: 738
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    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 …

    https://nanohub.org/resources/5448

  4. An Introduction to Quantum Computing

    This resource has a 9.0 Ranking

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    Users: 1410
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    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 …

    https://nanohub.org/resources/4778

  5. BNC Annual Research Review: An Introduction to PRISM and MEMS Simulation

    This resource has a 6.5 Ranking

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    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 upcoming …

    https://nanohub.org/resources/4717

  6. Calculating Resonances Using a Complex Absorbing Potential

    This resource has a 6.3 Ranking

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    13 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 …

    https://nanohub.org/resources/4143

  7. Nanoelectronic Modeling: Multimillion Atom Simulations, Transport, and HPC Scaling to 23,000 Processors

    This resource has a 7.7 Ranking

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    Users: 377
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    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, ultra-scaled quantum wells, and resonant tunneling diodes. In those …

    https://nanohub.org/resources/3988

  8. Exploring Physical and Chemical control of molecular conductance: A computational study

    This resource has a 5.8 Ranking

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    31 Jan 2008 | Online Presentations | Contributor(s): Barry D. Dunietz

    …

    https://nanohub.org/resources/3945

  9. Challenges and Strategies for High End Computing

    This resource has a 8.9 Ranking

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    Users: 753
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    20 Dec 2007 | Online Presentations | Contributor(s): Katherine A. Yelick

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational …

    https://nanohub.org/resources/3706

  10. NanoElectronic MOdeling: NEMO

    This resource has a 7.5 Ranking

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    20 Dec 2007 | Online Presentations | Contributor(s): Gerhard Klimeck

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational …

    https://nanohub.org/resources/3707

  11. Session 3: Discussion

    This resource has a 5.6 Ranking

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    20 Dec 2007 | Online Presentations

    Discussion led by Jim Demmel, University of California at Berkeley.

    https://nanohub.org/resources/3734

  12. Computational Mathematics: Role, Impact, Challenges

    This resource has a 6.7 Ranking

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    20 Dec 2007 | Online Presentations | Contributor(s): Juan C. Meza

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational …

    https://nanohub.org/resources/3701

  13. Hierarchical Temporal Memory: How a New Theory of Neocortex May Lead to Truly Intelligent Machines

    This resource has a 7.1 Ranking

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    12 Dec 2007 | Online Presentations | Contributor(s): Jeff Hawkins

    Coaxing computers to perorm basic acts of perception and robotics, let alone high-level thought, has been difficult. No existing computer can recognize pictures, understand language, or navigate …

    https://nanohub.org/resources/3555

  14. HPCW Introduction to Parallel Programming with MPI

    This resource has a 6.2 Ranking

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    05 Dec 2007 | Online Presentations | Contributor(s): David Seaman

    Single-session course illustrating message-passing techniques. The examples include point-to-point and collective communication using blocking and nonblocking transmission. One application …

    https://nanohub.org/resources/3357

  15. Computing the Horribleness of Soft Condensed Matter

    This resource has a 8.0 Ranking

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    19 Oct 2007 | Online Presentations | Contributor(s): Eric Jakobsson

    A great triumph of computer simulations 40 years ago was to make the liquid state of matter understandable in terms of physical interactions between individual molecules. Prior to the first …

    https://nanohub.org/resources/3424

  16. HPCW Parallel Programming Models

    This resource has a 6.3 Ranking

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    09 Oct 2007 | Online Presentations | Contributor(s): Sam Midkiff

    Computing Research Institute Rosen Center for Advanced Computing

    https://nanohub.org/resources/3341

  17. MCW07 Simple Models for Molecular Transport Junctions

    This resource has a 6.6 Ranking

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    13 Sep 2007 | Online Presentations | Contributor(s): Misha Galperin, Abraham Nitzan, Mark A. Ratner

    We review our recent research on role of interactions in molecular transport junctions. We consider simple models within nonequilibrium Green function approach (NEGF) in steady-state regime.

    https://nanohub.org/resources/3072

  18. MCW07 Electronic Level Alignment at Metal-Molecule Contacts with a GW Approach

    This resource has a 8.9 Ranking

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    05 Sep 2007 | Online Presentations | Contributor(s): Jeffrey B. Neaton

    Most recent theoretical studies of electron transport in single-molecule junctions rely on a Landauer approach, simplified to treat electron-electron interactions at a mean-field level within density …

    https://nanohub.org/resources/3094

  19. SUGAR: the SPICE for MEMS

    This resource has a 9.4 Ranking

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    Users: 1375
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    21 May 2007 | Online Presentations | Contributor(s): Jason Clark

    In this seminar, I present some design, modeling, and simulation features of a computer aided engineering tool for microelectromechanical systems (MEMS) called SUGAR. For experimental verification, I …

    https://nanohub.org/resources/2735

  20. Modeling and Analysis of VLSI Interconnects

    This resource has a 6.2 Ranking

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    Users: 665
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    10 May 2007 | Online Presentations | Contributor(s): Cheng-Kok Koh

    With continual technology scaling, the accurate and efficient modeling and simulation of interconnect effects have become problems of central importance. In order to accurately model the …

    https://nanohub.org/resources/2698

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