Recent advances and applications of deep learning methods in materials science

K Choudhary, B DeCost, C Chen, A Jain… - npj Computational …, 2022 - nature.com
Deep learning (DL) is one of the fastest-growing topics in materials data science, with
rapidly emerging applications spanning atomistic, image-based, spectral, and textual data …

Big-data science in porous materials: materials genomics and machine learning

KM Jablonka, D Ongari, SM Moosavi, B Smit - Chemical reviews, 2020 - ACS Publications
By combining metal nodes with organic linkers we can potentially synthesize millions of
possible metal–organic frameworks (MOFs). The fact that we have so many materials opens …

Electronic structure modeling of metal–organic frameworks

JL Mancuso, AM Mroz, KN Le, CH Hendon - Chemical reviews, 2020 - ACS Publications
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …

Material evolution with nanotechnology, nanoarchitectonics, and materials informatics: what will be the next paradigm shift in nanoporous materials?

W Chaikittisilp, Y Yamauchi, K Ariga - Advanced Materials, 2022 - Wiley Online Library
Materials science and chemistry have played a central and significant role in advancing
society. With the shift toward sustainable living, it is anticipated that the development of …

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 …

Harnessing Large Language Models to Collect and Analyze Metal–Organic Framework Property Data Set

Y Kang, W Lee, T Bae, S Han, H Jang… - Journal of the American …, 2025 - ACS Publications
This research focused on the efficient collection of experimental metal–organic framework
(MOF) data from scientific literature to address the challenges of accessing hard-to-find data …

Building open knowledge graph for metal-organic frameworks (mof-kg): Challenges and case studies

Y An, J Greenberg, X Zhao, X Hu, S McCLellan… - arXiv preprint arXiv …, 2022 - arxiv.org
Metal-Organic Frameworks (MOFs) are a class of modular, porous crystalline materials that
have great potential to revolutionize applications such as gas storage, molecular …

[PDF][PDF] Text Mining for Energy Materials

L Zhang, M He - J. Res. Sci. Eng., 2022 - scholar.archive.org
The scientific and technological progresses of the chemical and materials science
disciplines lead to a significant amount of numerical and textual data stored in the published …

Harnessing Large Language Model to collect and analyze Metal-organic framework property dataset

W Lee, Y Kang, T Bae, J Kim - arXiv preprint arXiv:2404.13053, 2024 - arxiv.org
This research was focused on the efficient collection of experimental Metal-Organic
Framework (MOF) data from scientific literature to address the challenges of accessing hard …

High-throughput screening of metal-organic frameworks for the impure hydrogen storage supplying to a fuel cell vehicle

H Wang, Y Yin, B Li, JQ Bai, M Wang - Transport in Porous Media, 2021 - Springer
Abstract Metal-organic frameworks (MOFs), as typical porous materials, have been widely
used for gas storage. However, impurities usually coexist in the stored gas, which will affect …