Methods for Finding Saddle Points and Minimum Energy Paths

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Ternary Fe–Cu–Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing (2009, background): “However, as shown in [40,43], Em estimated in such a way may be too rough compared to a proper barrier estimation, for example by using drag [44] or nudged elastic band (NEB) methods [45].”
A phenomenological dislocation mobility law for bcc metals (2016, methodology): “In order to study the dependence of τcrss(σ) on the state of stress and characterize the non-Schmidt model (26), we perform a series of nudged elastic band (NEB) calculations using the LAMMPS code ([90, 91]).”
Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calculations (2015, methodology): “The calculations are performed using the nudged elastic band (NEB) method (Henkelman et al., 2000) implemented in the parallel molecular dynamics code LAMMPS (Plimpton, 1995).”
AB Initio Atomistic Thermodynamics and Statistical Mechanics of Surface Properties and Functions (2004, background): “Most TS-search algorithms require not only the automatically provided information of the actual system state, but also knowledge of the final state after the process has taken place ( Henkelman, Johannesson and Jonsson, 2000 ).”