Exploring exohedral functionalization of fullerene with automation and Neural Network Potential
Mingkang Liu, Yanbo Han, Yonghong Cheng, Xiang Zhao, Hong Zheng
Topics & Concepts
FullereneSurface modificationNanoclustersComputer scienceAutomationArtificial intelligenceCombinatorial chemistryNanotechnologyMaterials scienceChemistryOrganic chemistryEngineeringMechanical engineeringPhysical chemistryMachine Learning in Materials ScienceFullerene Chemistry and ApplicationsCatalysis and Oxidation Reactions