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Bo Han, Marcus de Carvalho, Jie Zhang, Hui Mao and Qingyu Yan

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Synthesis, structural characteristics, and adsorption properties of benzimidazole-functionalized hyper-cross-linked resin

Jixia Li, Yang Tan, Wenkai Chen, Gui Chen, Lizhi Chen, Jiahui He, Sitong Wang, Haizhou Zhang and Ye Yuan

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Materials for thermochemical energy storage and conversion: attributes for low-temperature applications

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A time and resource efficient machine learning assisted design of non-fullerene small molecule acceptors for P3HT-based organic solar cells and green solvent selection

Asif Mahmood and Jin-Liang Wang

J. Mater. Chem. A, 2021, 9, 15684
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Advancing CH4/H2 separation with covalent organic frameworks by combining molecular simulations and machine learning

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Combining Computational Screening and Machine Learning to Predict Metal–Organic Framework Adsorbents and Membranes for Removing CH4 or H2 from Air

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Membranes, 2022, 12, 830
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Minimal crystallographic descriptors of sorption properties in hypothetical MOFs and role in sequential learning optimization

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Synthesis and adsorption capability of benzyl alcohol-based hyper-cross-linked resins for phenol removal in aqueous solution

Sitong Wang, Xiaoli Wu, Wenkai Chen, Yang Tan, Gui Chen, Fan Li, Shiqi Zhou and Meichun Wu

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Interpretable machine learning for materials discovery: Predicting CO2 adsorption properties of metal–organic frameworks

Yukun Teng and Guangcun Shan

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Bridging the Gap Between Materials and Engineering: Large‐Scale Screening of Metal–Organic Frameworks for Adsorption Cooling From Device Level

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Advanced Energy Materials, 2026, 16
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Accelerating the discovery and optimization of metal-organic framework materials via machine learning

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A review on thermal performance enhancement of green cooling system using different adsorbent/refrigerant pairs

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Engineering a Series of Isoreticular Pillared Layer Ultramicroporous MOFs for Gas and Vapor Uptake

Xiu-Yuan Li, Hai-Yu Duan and Chaozheng He

Inorg. Chem., 2022, 61, 17634
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Green, One-Step Mechanochemical Synthesis and Techno-economic Analysis of UiO-66-NH2

Samuel R. Wenger, Eleanor R. Kearns, Kaleb L. Miller and Deanna M. D’Alessandro

ACS Appl. Energy Mater., 2023, 6, 9074
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Current status and technological advancements in adsorption refrigeration systems: A review

P.R. Chauhan, S.C. Kaushik and S.K. Tyagi

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Rapid and accurate identification of effective metal organic frameworks for tetrafluoromethane/nitrogen separation by machine learning

Zequn Yang, Boshi Chen, Hongxiao Zu, Weijin Zhang, Zejian Ai, Lijian Leng, Hong Chen, Yong Feng and Hailong Li

Journal of the Taiwan Institute of Chemical Engineers, 2024, 162, 105556
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Integrating a Low-Cost Electronic Nose and Machine Learning Modelling to Assess Coffee Aroma Profile and Intensity

Claudia Gonzalez Viejo, Eden Tongson and Sigfredo Fuentes

Sensors, 2021, 21, 2016
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Utilizing metal-organic frameworks and covalent-organic frameworks for enhanced cathode design and separator functionality in metal-sulfur batteries

Xuexue Pan, Yi Zhao, Danyi Zhuang, Zhazira Supiyeva and Qamar Abbas

Journal of Energy Storage, 2026, 143, 119577
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Computational screening and machine learning of hydrophobic metal-organic frameworks for removal of chemical warfare agents from air

Xiao Yang, Qiuhong Huang, Lulu Zhang, Lifeng Li, Yu Chen, Wei Wang, Hong Liang, Yufang Wu, He Zheng, Yue Zhao and Zhiwei Qiao

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Large-Scale Screening and Machine Learning for Metal–Organic Framework Membranes to Capture CO2 from Flue Gas

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Application of machine learning in adsorption energy storage using metal organic frameworks: A review

Nokubonga P. Makhanya, Michael Kumi, Charles Mbohwa and Bilainu Oboirien

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Machine learning optimized adsorption heat transformations from adsorbents screening to enhanced performances

Bo Han and Anutosh Chakraborty

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

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Computational screening of covalent organic frameworks for He purification with adsorption or membrane separation

Zenan Shi, Lijun Liao, Shujun Peng, Yanying Wei and Libo Li

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The Mechanism of Rapid and Green Metal–Organic Framework Synthesis by In Situ Spectroscopy and Diffraction

Ilia Kochetygov, Luca Maggiulli, Marco Ranocchiari and Davide Ferri

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Molecular-fingerprint machine-learning-assisted design and prediction for high-performance MOFs for capture of NMHCs from air

Xueying Yuan, Lifeng Li, Zenan Shi, Hong Liang, Shuhua Li and Zhiwei Qiao

Advanced Powder Materials, 2022, 1, 100026
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Combining Machine Learning and Molecular Simulations to Unlock Gas Separation Potentials of MOF Membranes and MOF/Polymer MMMs

Hilal Daglar and Seda Keskin

ACS Appl. Mater. Interfaces, 2022, 14, 32134
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Computational discovery of Metal–Organic Frameworks for sustainable energy systems: Open challenges

Xiangyu Yin and Chrysanthos E. Gounaris

Computers & Chemical Engineering, 2022, 167, 108022
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Experimental Studies of Adsorption Desalination Systems: Current Research, Development and Future Prospects

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Energy Conversion and Management: X, 2025, 26, 101016
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Adsorption hybrid cooling systems: Material innovations, system integration, and future perspectives

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Recent advances in computational screening of metal-organic frameworks for carbon capture

Iradat Hussain Mafat and Sridhar Palla

Journal of Environmental Chemical Engineering, 2025, 13, 117789
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Insights into desiccant-based internally-cooled dehumidification using porous sorbents: From a modeling viewpoint

Y.H. Feng, Y.J. Dai, R.Z. Wang and T.S. Ge

Applied Energy, 2022, 311, 118732
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Performance Evaluation of Metal–Organic Frameworks in Adsorption Heat Pumps via Multiscale Modeling

Tiangui Liang, Wei Li, Song Li, Zhiliang Cai, Yuanchuang Lin and Weixiong Wu

ACS Sustainable Chem. Eng., 2024, 12, 2825
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Exploring the limits of csq-Zr-MOFs in Adsorption Heat Pumps: a computational study of their potential for cooling and heating applications

Mikhail Suyetin, Maxim V. Peskov, Udo Schwingenschlögl and Lev Sarkisov

Adsorption, 2025, 31
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Exploring the Potential of Metal–Organic Frameworks for Cryogenic Helium-Based Gas Gap Heat Switches via High-Throughput Computational Screening

Lingxiao Qin and Haishan Cao

ACS Appl. Mater. Interfaces, 2024, 16, 17025
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Techno-economic assessment of scale-up of metal-organic framework production

Samy Yousef

Journal of the Indian Chemical Society, 2025, 102, 102316
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Thermal Management for Hydrogen Charging and Discharging in a Screened Metal–Organic Framework Particle Tank

Hui Wang, Zhiguo Qu, Ying Yin, Jianfei Zhang and Pingwen Ming

ACS Appl. Mater. Interfaces, 2021, 13, 61838
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Total Cost of Ownership Prediction in Chilled Water Plants: Contributing Factors and Role of Artificial Intelligence

Rubaiath E Ulfath, Toh Yen Pang, Ivan Cole, Iain Stewart and Chi-Tsun Cheng

Applied Sciences, 2025, 15, 1618
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Recent advances in metal-organic frameworks for adsorption heat transformations

Bo Han and Anutosh Chakraborty

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