Systematic cluster growth: a structure search method for transition metal clusters
Peter L. Rodríguez‐Kessler, Adán R. Rodríguez‐Domínguez, Alvaro Muñoz‐Castro
Abstract
(where TM = Ti, Ni, Cu, Ag, Pt; and n = 6-14). The application of the code for doped clusters is also discussed. A detailed description of the present method for generating the structures of the clusters is provided.
Topics & Concepts
Cluster (spacecraft)SeedingTransition metalChemical physicsProcess (computing)Materials scienceStatistical physicsNanotechnologyComputer sciencePhysicsChemistryThermodynamicsBiochemistryOperating systemCatalysisProgramming languagenanoparticles nucleation surface interactionsNanocluster Synthesis and ApplicationsMachine Learning in Materials Science