Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications

PZ Moghadam, YG Chung, RQ Snurr - Nature Energy, 2024 - nature.com
Metal–organic frameworks (MOFs) are a class of nanoporous material precisely synthesized
from molecular building blocks. MOFs could have a critical role in many energy …

Biomedical metal–organic framework materials: perspectives and challenges

A Wang, M Walden, R Ettlinger… - Advanced functional …, 2024 - Wiley Online Library
Metal–organic framework (MOF) materials are gaining significant interest in biomedical
research, owing to their high porosity, crystallinity, and structural and compositional diversity …

ChatGPT chemistry assistant for text mining and the prediction of MOF synthesis

Z Zheng, O Zhang, C Borgs, JT Chayes… - Journal of the …, 2023 - ACS Publications
We use prompt engineering to guide ChatGPT in the automation of text mining of metal–
organic framework (MOF) synthesis conditions from diverse formats and styles of the …

ChatMOF: an artificial intelligence system for predicting and generating metal-organic frameworks using large language models

Y Kang, J Kim - Nature communications, 2024 - nature.com
ChatMOF is an artificial intelligence (AI) system that is built to predict and generate metal-
organic frameworks (MOFs). By leveraging a large-scale language model (GPT-4, GPT-3.5 …

Computational and Machine Learning Methods for CO2 Capture Using Metal–Organic Frameworks

H Mashhadimoslem, MA Abdol, P Karimi… - ACS …, 2024 - ACS Publications
Machine learning (ML) using data sets of atomic and molecular force fields (FFs) has made
significant progress and provided benefits in the fields of chemistry and material science …

Expanding the horizons of machine learning in nanomaterials to chiral nanostructures

V Kuznetsova, Á Coogan, D Botov… - Advanced …, 2024 - Wiley Online Library
Abstract Machine learning holds significant research potential in the field of nanotechnology,
enabling nanomaterial structure and property predictions, facilitating materials design and …

Topological characterization of metal–organic frameworks: a perspective

LT Glasby, JL Cordiner, JC Cole… - Chemistry of …, 2024 - ACS Publications
Metal–organic frameworks (MOFs) began to emerge over two decades ago, resulting in the
deposition of 120 000 MOF-like structures (and counting) into the Cambridge Structural …

Large language models for reticular chemistry

Z Zheng, N Rampal, TJ Inizan, C Borgs… - Nature Reviews …, 2025 - nature.com
Reticular chemistry is the science of connecting molecular building units into crystalline
extended structures such as metal–organic frameworks and covalent organic frameworks …

Multiscale modeling of physical properties of nanoporous frameworks: predicting mechanical, thermal, and adsorption behavior

A Hardiagon, FX Coudert - Accounts of Chemical Research, 2024 - ACS Publications
Conspectus Nanoporous frameworks are a large and diverse family of supramolecular
materials, whose chemical building units (organic, inorganic, or both) are assembled into a …

Data-Driven Design of Flexible Metal–Organic Frameworks for Gas Storage

Y Lim, B Kim, J Kim - Chemistry of Materials, 2024 - ACS Publications
Flexible metal–organic frameworks (MOFs) can show remarkable properties that can be
useful for various gas separation and storage applications. However, due to the relatively …