Adsorption and modification behavior of single atoms on the surface of single vacancy graphene: Machine learning accelerated first principle computations
Jingtao Huang, Jingteng Xue, Mingwei Li, Jiaying Chen, Yuan Cheng, Zhonghong Lai, Jin Hu, Fei Zhou, Nan Qu, Yong Liu, Jingchuan Zhu
Topics & Concepts
GrapheneVacancy defectAdsorptionMaterials scienceComputationAtom (system on chip)Node (physics)Computer scienceMachine learningNanotechnologyChemical physicsArtificial intelligenceAlgorithmChemistryPhysical chemistryPhysicsCondensed matter physicsQuantum mechanicsParallel computingGraphene research and applicationsMachine Learning in Materials Science2D Materials and Applications