“…These are coupled to a local optimizer of any electronic structure package. Examples include the Ab initio Random Structure Searching approach ( Pickard and Needs, 2011 ), simulated annealing ( Kirkpatrick et al, 1983 ; Metropolis et al, 1953 ; Xiang and Gong, 2000 ; Xiang et al, 2013 ; Vlachos et al, 1993 ; Granville et al, 1994 ), the kick methodology ( Pan et al, 2014 ; Cui et al, 2015 ; Vargas-Caamal et al, 2016b , a ; Cui et al, 2017 ; Vargas-Caamal et al, 2015 ; Flórez et al, 2016 ; Ravell et al, 2018 ; Hadad et al, 2014 ; Saunders, 2004 , 1987 ; Grande-Aztatzi et al, 2014 ; Mendoza-Wilson et al, 2022 ), and genetic algorithms ( Guo et al, 2017 ; Dong et al, 2018 ; Mondal et al, 2016 ; Ravell et al, 2018 ; Grande-Aztatzi et al, 2014 ; Rodríguez-Kessler et al, 2017 ; Alexandrova et al, 2004 ; Buelna-Garcia et al, 2021 ). Global minimum structure searches at the DFT level are too computationally expensive to be applied to intermediate and large cluster sizes since, as mentioned earlier, the number of candidates increases exponentially with the number of atoms.…”