Sentence examples for molecular simulation codes from inspiring English sources
The use of standardized portlets and a generally modular approach allows for the simultaneous and independent implementation of frontends for different molecular simulation codes.
Molecular simulation codes and computational resources are accessed via the MoSGrid portal (http://www.mosgrid.de), which will offer intuitive access to various tools and will support the users with workflows, for an easy import of molecular data, a simple setup and submission of calculations as well as extraction of relevant results.
Most users of molecular simulation codes are used to using a command line interface.
A method to measure the phonon dispersion of a crystal based on molecular dynamics simulation is proposed and implemented as an extension to an open source classical molecular dynamics simulation code LAMMPS.
Because of the relatively large size of the simulated systems in this study, a CG modeling technique using LAMMPS molecular dynamic simulation code was adopted based on a semi-crystalline lattice method for generating entangled polymer structures[16 18].
We present a general purpose parallel molecular dynamics simulation code.
The simulation is carried out using LAMMPS, a general-purpose molecular dynamics simulation code developed by Sandia National Lab [28].
This study deciphers the thermal heat transfer mechanism for the conductive heat transfer mode via a molecular dynamics simulation code.
The layer thickness used for the calculation of implanted-layer hardness was obtained from a molecular dynamic simulation code (TRIM).
The Green's function molecular dynamics method, which enables one to study the elastic response of a three-dimensional solid to an external stress field by taking into consideration only the surface atoms, was implemented as an extension to an open source classical molecular dynamics simulation code LAMMPS.
The multi-purpose simulation code of the molecular simulation package was used for all simulations [28].
