Diversity-driven, efficient exploration of a MOF design space to optimize MOF properties
Tsung-Wei Liu, Quan Nguyen, Adji Bousso Dieng, Diego A. Gómez‐Gualdrón
Abstract
A generalizable machine learning technique (VBO) for efficient exploration of MOF design space was developed and demonstrated by optimizing MOFs for NH 3 storage.
Topics & Concepts
Diversity (politics)Space (punctuation)Computer scienceComputer architectureSociologyOperating systemAnthropologyMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceCatalytic Processes in Materials Science