Metal-organic frameworks: Advances in first-principles computational studies on catalysis, adsorption, and energy storage
Junqi Peng, Yingna Zhao, Xiaoyu Wang, Xiongfeng Zeng, Jiansheng Wang, Suoxia Hou
Topics & Concepts
Biochemical engineeringNanotechnologyMaterials scienceComputational modelMetal-organic frameworkComputer scienceSystems engineeringAdsorptionEngineeringArtificial intelligenceChemistryOrganic chemistryMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceMagnetism in coordination complexes