Machine-learning-guided design of MOF-based electrocatalysts for sustainable ammonia production

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

Chem. Commun., 2026, 62, 3233
DOI: 10.1039/D5CC07118F

Domain-adapted discovery of PET depolymerisation routes using in-house curated scientific literature

Dawn Sivan, Saima Zafar, K. Satheesh Kumar, T. K. Manoj Kumar, Kohbalan Moorthy, Izan Izwan Misnon, Chun-Chen Yang and Rajan Jose

Chem. Commun., 2026, 62, 6983
DOI: 10.1039/D6CC00581K

Engineering porous organic polymers for enhanced CO2 capture: from synthesis to implementation

Mohammed G. Kotp and Shiao-Wei Kuo

Chem. Sci., 2026
DOI: 10.1039/D6SC00384B

Metal-organic frameworks: Role of artificial intelligence and machine learning algorithms for efficient discovery, design, synthesis and prediction of CO2 capture capacity - A state of art review

Aayzaz Ahmed, Mirza Aamish Hassan Khan, George Uwadiegwu Alaneme, Tariq Ali, Muhammad Zeeshan Qureshi, Ayed Eid Alluqmani and Ali Ajwad

Separation and Purification Technology, 2026, 388, 136737
DOI: 10.1016/j.seppur.2026.136737

Adaptive Allocation of Monte Carlo Samples for Efficient, Multifidelity Computational Screening of Metal–Organic Frameworks

Qia Ke, N. Scott Bobbitt, Jana Doppa, Huazheng Wang and Cory M. Simon

J. Chem. Theory Comput., 2026, 22, 558
DOI: 10.1021/acs.jctc.5c01431

From selectivity to separation: Metal–organic framework strategies for targeting H, B, Li, and Xe isotopes

Brij Mohan, Ismayil M. Garazade, Bakhtiyar Najafov, Saleh R. Ismayilli, Xiaoping Zhang, Harish Kumar Sharma, M. Fátima C. Guedes da Silva, Armando J.L. Pombeiro, Rakesh Kumar Gupta, Gurjaspreet Singh and Wei Sun

Separation and Purification Technology, 2026, 138497
DOI: 10.1016/j.seppur.2026.138497

Artificial Intelligence in Metal Complexes Research: Advances in Synthesis, Characterization, and Applications

Shimaa Hosny, Qusi K. Alomoush, Leila M. Abbass, Mohammad A. Qaderi, Marwa Saeed and Lamiaa Z. Mohamed

Arab J Sci Eng, 2026
DOI: 10.1007/s13369-026-11316-9

Intelligent screening of porous materials: A review of active-learning approaches in MOF research

Etinosa Osaro and Yamil J. Colón

Chemical Physics Reviews, 2025, 6
DOI: 10.1063/5.0295283

Machine Learning-Enhanced Molecular Dynamics: Current State, Challenges and Perspectives

Christos Stavrogiannis, Filippos Sofos and Theodoros E. Karakasidis

Arch Computat Methods Eng, 2026
DOI: 10.1007/s11831-026-10505-x

Optoelectronic and thermal properties of oxide-based double perovskites (Sr2YSbO6 and A2TiMoO6, A = Sr/Ba): a DFT study

Nabeel Israr, Naglaa AbdelAll, Aarfa A. Yagob, Khamael Khan, Ghada A. Khouqeer and G. Murtaza

Inorganic Chemistry Communications, 2026, 183, 115881
DOI: 10.1016/j.inoche.2025.115881

Metal–Organic Framework Nanozymes: From Rational Design and Synthesis to Biomedical Applications

Shundong Cai, Mengdie Li, Songyi Wang, Xiaofei Wen, Gang Liu and Chengchao Chu

Nano-Micro Lett., 2026, 18
DOI: 10.1007/s40820-026-02168-x

Hybrid Modification Strategies of Metal–Organic Frameworks: A Review on Structural Design and Environmental Applications

Samar H. Elagamy, Adel M. Michael, Reem H. Obaydo and Hayam M. Lotfy

ChemistryOpen, 2026, 15
DOI: 10.1002/open.70197

AI-guided approaches in organometallic research: cognition in chemistry

Anshul Yadav, Astha Kamboj and Kavita Poonia

Discov. Chem., 2026, 3
DOI: 10.1007/s44371-026-00549-0

Machine learning-guided design/optimisation of functionalized metal–organic frameworks for sustainable carbon capture and photocatalytic conversion

Sathish Sundararaman, Sanjana R, Jeeva Karthikeyan, Aravind Kumar J, T. Sathish, Seif Al Bustanji and Abdusamat Rasulov

Results in Engineering, 2026, 30, 110704
DOI: 10.1016/j.rineng.2026.110704

3D truss absorbing metamaterial empowered by artificial intelligence: Reverse design and performance breakthrough

Yan Hu, Senlin Tian and Yingjie Li

Sustainable Materials and Technologies, 2026, 48, e01975
DOI: 10.1016/j.susmat.2026.e01975

Comprehensive advances in gas sensing: Mechanisms, material innovations, and applications in environmental and health monitoring

Rajat Nagpal, Nicolai Ababii and Oleg Lupan

Materials Today Electronics, 2026, 15, 100192
DOI: 10.1016/j.mtelec.2025.100192

Synthesis and applications of three-dimensional porous metal-covalent organic frameworks for clean energy and sustainability

Muhammad Sufyan Javed, Sadia Muzammal, Waseem Raza, Muhammad Asim Mushtaq, Andleeb Mehmood, Munir Ahmad, Kai Zong, Xin Wang and Zhongwei Chen

Materials Today, 2026, 95, 103290
DOI: 10.1016/j.mattod.2026.103290

Toward Rational Design of Porous Frameworks for CO2 Capture: From POPs and MOFs to Hybrid and Derived Materials

Saleem Nawaz Khan, Mujahid Ur Rehman, Shakil Ahmed Jiskani, Faheem Abbas, Rahim Muhammad and Dagang Liu

Materials Today Sustainability, 2026, 101387
DOI: 10.1016/j.mtsust.2026.101387

MOF/COF architectures and artificial intelligence-driven design for next-generation electrolyzers: A comprehensive review of hydrogen production and CO₂ reduction

Mohammadreza Mohammadpour and Amirreza Mohammadpour

Journal of Environmental Chemical Engineering, 2026, 14, 122292
DOI: 10.1016/j.jece.2026.122292

Synergy at the nanoscale: MOF-polymer integration in thin-film nanocomposite membranes for advanced separation

Fatemeh Bagri, Najmeh Sarvari, Mir Mahdi Zekavat, Milad Begri and Yaghoub Mansourpanah

Desalination, 2026, 633, 120272
DOI: 10.1016/j.desal.2026.120272

Advanced adsorbent-adsorbate pairs for sustainable and energy-efficient adsorption refrigeration in net-zero buildings: Working-Pair performance mapping, AI-driven materials screening, and system integration

Ramesh P Sah, Anirban Sur, Naresh Chaudhari, Ashok Kumar Yadav, Aqueel Ahmad and Ashu Yadav

International Journal of Thermofluids, 2026, 33, 101625
DOI: 10.1016/j.ijft.2026.101625

Advanced simulations from DFT to machine learning for solid-state hydrogen storage: fundamentals, progresses, challenges and perspectives

Shuling Chen, Mei Yang, Shaoyang Shen and Liuzhang Ouyang

Progress in Materials Science, 2026, 159, 101653
DOI: 10.1016/j.pmatsci.2025.101653

From Words to Frameworks: Transformer Models for Metal–Organic Framework Design in Nanotheranostics

Cristian F. Rodríguez, Paula Guzmán-Sastoque, Juan Esteban Rodríguez, Wilman Sanchez-Hernandez and Juan C. Cruz

JNT, 2026, 7, 3
DOI: 10.3390/jnt7010003

Advancements and Prospects of Metal-Organic Framework-Based Fluorescent Sensors

Yuan Zhang, Chen Li, Meifeng Jiang, Yuan Liu and Zongbao Sun

Biosensors, 2025, 15, 709
DOI: 10.3390/bios15110709

Challenges and strategies for hydrogen storage and carbon dioxide capture using metal-organic framework: Synergizing experimental and machine learning approach

Kushal Dubey, Devi Amrita Ray, Soumyadarshi Rath, Kajari Chatterjee and Akhilesh Kumar Singh

Coordination Chemistry Reviews, 2026, 552, 217511
DOI: 10.1016/j.ccr.2025.217511

Recent Advances in Lanthanide Complexes in Biological Systems: Coordination Principles and Interactions with Biomolecules

Michele Costanzo, Sabrina Bianco, Marta Fik-Jaskółka and Giovanni N. Roviello

IJMS, 2026, 27, 1566
DOI: 10.3390/ijms27031566

Ammonia adsorption technology using next-generation materials for decarbonized heating

Abel Mehari, Y.X. Zhang, H. Si, X. Zheng and L. Jiang

Chemical Engineering Journal, 2025, 525, 170835
DOI: 10.1016/j.cej.2025.170835

Imidazole-based MOFs for photo/electrocatalytic CO2 conversion: Controllable construction, mechanistic investigation, and machine learning

Yayu Yan, Wan-Ting Xia, Sheng Hu, Qiao-Hong Li and Jian Zhang

EnergyChem, 2026, 8, 100198
DOI: 10.1016/j.enchem.2026.100198