Combining machine learning and metal–organic frameworks research: Novel modeling, performance prediction, and materials discovery

C Li, L Bao, Y Ji, Z Tian, M Cui, Y Shi, Z Zhao… - Coordination Chemistry …, 2024 - Elsevier
Abstract Machine learning (ML) is the science of making computers learn and behave like
humans, autonomously improving their learning by providing them with data and information …

Accelerated Discovery of Metal–Organic Frameworks for CO2 Capture by Artificial Intelligence

HC Gulbalkan, GO Aksu, G Ercakir… - Industrial & Engineering …, 2023 - ACS Publications
The existence of a very large number of porous materials is a great opportunity to develop
innovative technologies for carbon dioxide (CO2) capture to address the climate change …

High‐Throughput Computational Screening‐Driven Porous Material Discovery for Benchmark Propylene/Propane Separation

T Zhang, JJ Lv, Y Dang, Z Gao, H Wang… - Advanced Functional …, 2025 - Wiley Online Library
Abstract Separating propylene (C3H6) from propylene/propane (C3H6/C3H8) mixture using
energy‐efficient adsorption is industrially important, but due to the lack of universal pore …