Illinois PHYS 466, Lecture 4: Molecular Dynamics

05 Feb 2009 | Online Presentations | Contributor(s): David M. Ceperley

Molecular Dynamics What to choose in an integrator The Verlet algorithm Boundary Conditions in Space and time Reading assignment: Frenkel and Smit Chapter 4 Content: Characteristics of simulations The Verlet Algorithm Higher Order Methods? Quote from Berendsen Long-term …

MESFET Lab

26 Jul 2008 | Tools | Contributor(s): Dragica Vasileska, Gerhard Klimeck, Saumitra Raj Mehrotra

This tool gives insight into the basic operation of MESFET devices

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 MD simulations, describe some of the most exciting recent developments in the field and exemplify with a few applications applications. The series also includes a tutorial on the nanoMATERIALS simulation …

Effect of Doping on Semiconductors

10 Sep 2008 | Tools | Contributor(s): Umberto Ravaioli, Nahil Sobh

effects of doping in bulk silicon.

Multiscale Methods to Simulate and Predict Membrane Organization: atomistic molecular dynamics to mean field Langevin dynamics

08 Aug 2008 | Online Presentations | Contributor(s): Larry H. Scott, Omar N Sobh

There is considerable interest in the lateral organization of biological membranes. While membrane proteins obviously influence on the localized properties of membranes, the lipids themselves also can self-organize within the bilayer. Computational models can complement the growing body of …