Papers:
Brownian Dynamics Based Particle Mesh Simulation of Ionic Soulutions and Channels
We present a methods based around the Self Constistent solution of the coupled Langevin/Poisson equations for the simulation of ionic solutions.
Crowded Charge in Biological Ion Channels
Biological ion channels are devices very much like FETs, but conduct ions with chemical properties that are usually described by quantum mechanics (that is, delocalization of electrons between ion and channel protein). In the last [...]
Ionic Diffusion Through Protein Channels: From molecular description to continuum equations
Diffusion of particles through a microscopic region, as in ionic permeation through protein channels, is an important phenomenon in many diverse fields. Permeation through ion channels occurs on a microsecond time scale, far longer than [...]
Self-Consistent Particle-Based Simulations of Three-Dimensional Ionic Solutions
Ion channels are an important class of proteins responsible for controlling the ion flux into and out of cells, and are interesting in the electronics community for their possible application for new classes of electronics [...]
Equilibrium Structure of Electrolyte calculated using Equilibrium Monte Carlo, Molecular Dynamics, and Boltzmann Transport Monte Carlo Simulations
van der Straaten T.A., Kathawala G., Kuang Z., Boda D., Chen D.P., Ravaioli U., Eisenberg R.S., Henderson D., University of Illinois, US
We use the pair correlation function as a benchmark calculation to compare three simulation methodologies -Equilibrium Monte Carlo, Molecular Dynamics, and Boltzmann Transport Monte Carlo. The three simulation approaches handle electrostatic boundary conditions and ion-water [...]
Journal: TechConnect Briefs
Volume: 3, Technical Proceedings of the 2003 Nanotechnology Conference and Trade Show, Volume 3
Published: February 23, 2003
Industry sector: Medical & Biotech
Topic: Biomaterials
ISBN: 0-9728422-2-5