Accelerating the prediction of large carbon clusters via structure search: Evaluation of machine-learning and classical potentials
Bora Karasulu, Jean‐Marc Leyssale, P.N. Rowe, Cédric Weber, Carla de Tomás
Topics & Concepts
Cluster (spacecraft)NanoclustersFullereneTransferabilityCluster analysisCarbon fibersComputer scienceRange (aeronautics)Statistical physicsMaterials scienceMachine learningNanotechnologyAlgorithmPhysicsProgramming languageQuantum mechanicsComposite materialComposite numberLogitMachine Learning in Materials ScienceFullerene Chemistry and ApplicationsGraphene research and applications