In 2015, researchers first obtained evidence for superlubricity at microscales. The experiments were supported by computational studies. The Mira supercomputer simulated up to 1.2 million atoms for dry environments and up to 10 million atoms for humid environments. The researchers used LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) code to carry out reactive molecular dynamics simulations. The researchers optimized LAMMPS and its implementation of ReaxFF by adding OpenMP threading, replacing MPI point-to-point communication with MPI collectives in key algorithms, and leveraging MPI I/O. These enhancements doubled performance.