A mechanism-guided inverse engineering framework to unlock design principles of H-bonded organic frameworks for gas separation
Yong Qiu, Lei Wang, Letian Chen, Yun Tian, Zhen Zhou, Jianzhong Wu
Abstract
). This work not only provides the first large-scale HOF database, but also demonstrates the enhanced machine learning interpretability of our model-driven iterative inverse design framework, offering new insights into the rational design of nanoporous materials for gas separation.
Topics & Concepts
Mechanism (biology)Metal-organic frameworkInverseNanotechnologyGas separationBiochemical engineeringComputer scienceSystems engineeringChemistryMaterials scienceEngineeringPhysicsOrganic chemistryMathematicsQuantum mechanicsBiochemistryGeometryAdsorptionMembraneMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework ApplicationsSupramolecular Chemistry and Complexes