LAMMPS

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a computer program used by scientists to simulate the behavior of atoms and molecules over time. It allows researchers to model how materials, biological systems, and chemical processes evolve at the microscopic level. By applying physical laws and mathematical models, LAMMPS helps predict properties, understand reactions, and design new materials—all in a virtual environment. It is highly scalable, capable of running on small clusters or supercomputers, making it a powerful tool for detailed, large-scale molecular simulations in various scientific fields.