Computational catalysis for metal-organic frameworks: An overview
Gavin A. McCarver, Thayalan Rajeshkumar, Konstantinos D. Vogiatzis
Topics & Concepts
ChemistryCatalysisNanotechnologyBiochemical engineeringCharacterization (materials science)Metal-organic frameworkFunction (biology)Virtual screeningComputational modelField (mathematics)Computational simulationComputational chemistryComputer scienceOrganic chemistryMolecular dynamicsComputational scienceArtificial intelligenceMaterials scienceMathematicsAdsorptionPure mathematicsEvolutionary biologyBiologyEngineeringMetal-Organic Frameworks: Synthesis and ApplicationsCatalytic Processes in Materials ScienceMachine Learning in Materials Science