Sentence examples for molecular dynamics code from inspiring English sources

The molecular dynamics code LAMMPS [15 17] is used in all the NEMD and EMD simulations.

In this paper, we develop a general purpose molecular dynamics code that runs entirely on a single GPU.

The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code.

The granular temperatures calculated by the model have been compared to those computed by the molecular dynamics code.

The method is simple to implement into a conventional molecular dynamics code and independent of the atomistic model employed.

The architecture was chosen specifically for applications involving molecular dynamics code, using a new implementation of the algorithm, but it has also been programmed for finite difference calculations.

Both discontinuous molecular dynamics codes for single and multiple-event scheduling algorithms are available on the Internet.

The latter is an essential trait if one wants to be able to propagate uncertainty through stochastic simulators, e.g., through molecular dynamics codes.

Besides those, a variety of 2D/3D visualization and molecular modelling programs, as well as ab initio, semi-empirical and molecular dynamics codes are packaged by the Debichem in Debian.

We use a recently developed, massively parallel molecular-dynamics code for the simulation of polycrystal plasticity to elucidate the intricate interplay between dislocation and GB processes during room-temperature plastic deformation of model nanocrystalline-Al microstructures.

Not satisfied with merely adapting molecular-dynamics code to run on specialized graphics processors, some engineers have designed new processors specifically for these simulations.