- R&D 100 Awards
Computer simulations commonly referred to as molecular dynamics (MD) are a critical tool for research into how the structure and dynamics of materials and molecules determines their properties. LAMMPS is an MD code created to enable such simulations on both small desktop machines and large parallel supercomputers with millions of processors, allowing the number of atoms and length of physical time simulated to be increased dramatically. LAMMPS enables researchers to gain insight into material behavior that is not accessible to experimental observation or other computational modeling methods. This, in turn, helps drive advances in the fields of materials science, chemistry, physics, engineering and medicine.
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