MSE 597G Lecture 4: Interatomic potentials I

14 Nov 2008 | Online Presentations | Contributor(s): Alejandro Strachan

Interatomic potentials: pairwise potentials.

https://nanohub.org/resources/5776

Running MD on the nanoHUB: The nano-MATERIALS Simulation Toolkit

13 Nov 2008 | Online Presentations | Contributor(s): Alejandro Strachan

A quick demostration of the nanoHUB tool: nano-Materials Simulation Toolkit.

https://nanohub.org/resources/5843

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: Stillinger-Weber, Electrostatics and Covalent interactions.

https://nanohub.org/resources/5777

MSE 597G Lecture 6: Interatomic potentials III

12 Nov 2008 | Online Presentations | Contributor(s): Alejandro Strachan

Reactive force fields, Parameterization of interatomic potentials

https://nanohub.org/resources/5778

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 or mesodynamics, Validation and Verification.

https://nanohub.org/resources/5779

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 upcoming …

https://nanohub.org/resources/4717

Practical Introduction to the BioMOCA Suite

23 Apr 2008 | Online Presentations | Contributor(s): David Papke

In this presentation, I describe how to use the online BioMOCA Suite. I explain how to prepare the .pqr input protein structure from a .pdb structure. I then explain in detail how to use each of the …

https://nanohub.org/resources/4403

Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces

31 Jan 2008 | Online Presentations | Contributor(s): Oleg Prezhdo

Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing …

https://nanohub.org/resources/3951

Microscale Ionic Wind for Local Cooling Enhancement

26 Oct 2007 | Online Presentations | Contributor(s): David B Go

As the electronics industry continues to develop small, highly functional, mobile devices, new methods of cooling are required to manage the thermal requirements of the not only the chip but …

https://nanohub.org/resources/3358

Computing the Horribleness of Soft Condensed Matter

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