LAMMPS
Molecular dynamics with LAMMPS compiled to WebAssembly. This page runs the classic Lennard-Jones melt: atoms start on an fcc lattice with random velocities, then evolve at constant energy (NVE). Watch the lattice melt as kinetic energy turns into potential energy; the total stays nearly constant (it drifts slightly because this classic input rebuilds neighbour lists only every 20 steps). All values are in reduced LJ units.
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Energy and temperature
Run to plot temperature, potential energy and total energy per atom against step.
Final positions
Atoms in a 2σ slab through the middle of the box, seen along z.
Summary
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