Tutorial LAMMPS and VMD – simulation and visualization of molecular dynamics

Образование

В среду 7 сентября 2016 г., в 10:00 в к.407 ЛИТ состоится семинар «Tutorial LAMMPS and VMD – simulation and visualization of molecular dynamics».

Докладчик: Sergiu Busuioc (West University of Timisoara, Romania)

Аннотация

LAMMPS is a classical molecular dynamics code, and an acronym for Largescale Atomic/Molecular Massively Parallel Simulator. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. We will walk through some examples of simulation using this powerful packages that we will visualize with the help of VMD. Visual Molecular Dynamics (VMD) is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and build-in scripting.

The course will be held on the heterogeneous cluster HybriLIT of LIT JINR.