LAMMPS: Large-scale Atomic/Molecular Massively Parallel Simulator.

Molecular Dynamics is a method of computer simulation enabling us to see and study physical movements of atoms and bigger molecules, which are allowed to interact between themselves for a fixed period of time, so evolution of the system over time can be seen – we’ll see behavior of molecules under conditions chosen for our simulation. LAMMPS is based on Classical Mechanics theory, so at lower level it integrates Newton’s equations of motion of collection of molecules, of which we have built our model for exact simulation. Those particles will interact via short-range or long-range forces. Certain initial and boundary conditions can be provided for our simulation, which will govern motion of molecules. In LAMMPS we mostly simulate aggregates of thousands or millions of atoms. Hence, this is a good method for investigating numerous physical characteristics of nanoparticles and a realistics approximation of macro properties.

Brief installation instructions by Wojtek Rosiński

Simulation of Graphene on Copper (in Polish) by Szymon Romanowski.

Two movies are available (described in the text): wygrzewanie_C_nonperiodic.mp4 and bombardowanie_C.mp4