Generative AI for design of nanoporous materials: review and future prospects

2025/01/01 by Evan Xie, Xijun Wang, J. Ilja Siepmann +2 · 2 voices
Chemistry · Materials Science · #Machine Learning in Materials Science #Metal-Organic Frameworks: Synthesis and Applications #Nanoporous metals and alloys

paper · pdf · doi:10.1039/d5dd00221d

openalex publication_date 2025/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Generative AI is reshaping the design of nanoporous materials by enabling rapid generation and screening of structures with desired properties. This review highlights capabilities, limitations, and practical use of AI for targeted material design.

Citations

• The Earth Mover's Distance as a Metric for Image Retrieval
• Unsupervised Representation Learning with Deep Convolutional Generative Adversarial Networks
• Metal–Organic Frameworks in Heterogeneous Catalysis: Recent Progress, New Trends, and Future Perspectives
• Datasets for Large Language Models: A Comprehensive Survey
• Los carnavales de La Bañeza: Aspectos antropológicos
• Metal–Organic Framework Nanocarriers for Drug Delivery in Biomedical Applications
• Understanding the diversity of the metal-organic framework ecosystem
• A review on genetic algorithm: past, present, and future
• Metal–Organic Frameworks for Drug Delivery: A Design Perspective
• Large Language Model-Guided Prediction Toward Quantum Materials Synthesis

Discussions

• In our latest featured article, Wang, Snurr et al. review the wide range of approaches to the use of generative AI in designing porous materials, and offer a perspective on incorporating these tools w [bsky, 7 points, 0 comments]
• This new review article was led by high school student Evan Xie and Xijun Wang. Also with Ilja Siepmann and Haoyuan Chen @chemchen.bsky.social. I think it's a timely review of powerful new tools in a [bsky, 6 points, 0 comments]

Related

• AI-driven materials design: a mini-review
• Artificial Intelligence and Generative Models for Materials Discovery -- A Review
• Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
• Artificial Intelligence Empowered New Materials: Discovery, Synthesis, Prediction to Validation
• Physics-Guided Generative AI for Property-Targeted 3D Porous Media Design