High-throughput computational screening of nanoporous materials in targeted applications
Emmanuel Ren, Philippe Guilbaud, François‐Xavier Coudert
Abstract
Given the large number of known and hypothetical nanoporous materials, high-throughput computational screening is an efficient method to identify the current best-performing materials and to guide the design of future materials.
Topics & Concepts
NanoporousThroughputHigh-throughput screeningComputer scienceScreening techniquesNanotechnologyMaterials scienceBioinformaticsBiologyTelecommunicationsWirelessCatalytic Processes in Materials ScienceMachine Learning in Materials ScienceMetal-Organic Frameworks: Synthesis and Applications