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20182023
most citedAssessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS

239 citations · 494 across the 15 of their papers we have counts for

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cond-mat.mtrl-sci2018★ 34 cited

{110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials

Johannes J. Möller, Matous Mrovec, Ivan Bleskov +6

Large-scale atomistic simulations with classical potentials can provide valuable insights into microscopic deformation mechanisms and defect-defect interactions in materials. Unfor…