Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps - Guénolé, Julien; Nöhring, Wolfram G.; Vaid, Aviral; Houllé, Frédéric; Xie, Zhuocheng; Prakash, Aruna; Bitzek, Erik (Computational materials science, 2020)
Keywords: Atomistic simulation; Computer Science; fire; imd; lammps; Physics; Pseudo-dynamics; Relaxation; Atomistic simulation; Relaxation; imd; fire; Pseudo-dynamics; lammps