X-Nico

unusual facts about Molecular Dynamics



Enrico Clementi

Enrico Clementi (born November 19, 1931 in Cembra, Italy) is an Italian chemist, a pioneer in computational techniques for quantum chemistry and molecular dynamics.

Google Toolbar

Google Compute was a separately downloadable add-on for the Google Toolbar which utilized the user's computer to help the Folding@home distributed computing project, which studies disease-relevant protein folding and other molecular dynamics.

Kinetic Monte Carlo surface growth method

Experimental methods such as Scanning Electron Microscopy (SEM), X-ray diffraction, and Transmission Electron Microscopy (TEM), and other computer simulation methods such as Molecular Dynamics (MD), and Monte Carlo (MC) simulation are widely used.

Verlet list

A Verlet list (named after Loup Verlet) is a data structure in molecular dynamics simulations to efficiently maintain a list of all particles within a given cut-off distance of each other.


see also

Energy drift

Energy drift is often used as a measure of the quality of the simulation, and has been proposed as one quality metric to be routinely reported in a mass repository of molecular dynamics trajectory data analogous to the Protein Data Bank.

Verlet

Verlet integration, a technique for computer simulation of molecular dynamics developed by Loup Verlet