TRANSpull: computes pulling coupled to transport properties of single molecules.

27 Jul 2011 | Tools | Contributor(s): Jason Hutcheson, Ignacio Franco, Renaud Nicolas, Marcelo Carignano, Mark Ratner, George C. Schatz

Calculates the electronic transport properties of single molecules as they are mechanically elongated.

MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate

24 Aug 2010 | Tools | Contributor(s): Lisa Felberg, Ignacio Franco, Martin McCullagh, Mark Ratner, George C. Schatz, Marcelo Carignano

Estimates the force required for stretching a molecule and determines the potential of mean force along the extension coordinate.

Coarse Grain Lipid Simulator

31 Jul 2008 | Tools | Contributor(s): Baudilio Tejerina, Elizabeth Brezinski, Martin McCullagh, George C. Schatz

CGLS is a tool intended to aid in the modeling, construction and analysis of lipid systems.

Nanosphere Optics Lab Field Simulator

09 Aug 2007 | Tools | Contributor(s): Baudilio Tejerina, Tyler Takeshita, Logan Ausman, George C. Schatz

Study of the Electric field induced by Light-Nanoparticle interaction.

PNP Cyclic Peptide Ion Channel Model

04 Apr 2007 | Tools | Contributor(s): Brian Radak, Hyonseok Hwang, George C. Schatz, Mark A. Ratner

This tool simulates ion flow in a system modeled after cyclic peptide ion channels using Poisson-Nernst-Planck (PNP) theory.

Nanosphere Optics Lab

19 May 2006 | Tools | Contributor(s): Jon Camden, George C. Schatz

Nanosphere Optics Lab uses Mie theory to calculate the absorption, scattering, and extinction spectra of spherical nanoparticles. Calculations for spheres of a constant dielectric, as well as the wavelength dependent dielectric materials gold and silver are possible for a range of particle …