Graph neural networks for materials science and chemistry

P Reiser, M Neubert, A Eberhard, L Torresi… - Communications …, 2022 - nature.com
Abstract Machine learning plays an increasingly important role in many areas of chemistry
and materials science, being used to predict materials properties, accelerate simulations …

Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

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 …

Metalated covalent organic frameworks: from synthetic strategies to diverse applications

Q Guan, LL Zhou, YB Dong - Chemical Society Reviews, 2022 - pubs.rsc.org
Covalent organic frameworks (COFs) are a class of organic crystalline porous materials
discovered in the early 21st century that have become an attractive class of emerging …

Metal-catalysed C–H bond activation and borylation

R Bisht, C Haldar, MMM Hassan, ME Hoque… - Chemical Society …, 2022 - pubs.rsc.org
Transition metal-catalysed direct borylation of hydrocarbons via C–H bond activation has
received a remarkable level of attention as a popular reaction in the synthesis of …

Transitioning metal–organic frameworks from the laboratory to market through applied research

AM Wright, MT Kapelewski, S Marx, OK Farha… - Nature materials, 2024 - nature.com
Metal–organic frameworks (MOFs) have captivated researchers for over 25 years, yet few
have successfully transitioned to commercial markets. This Perspective elucidates the …

[HTML][HTML] Recent advances in computational modeling of MOFs: From molecular simulations to machine learning

H Demir, H Daglar, HC Gulbalkan, GO Aksu… - Coordination Chemistry …, 2023 - Elsevier
The reticular chemistry of metal–organic frameworks (MOFs) allows for the generation of an
almost boundless number of materials some of which can be a substitute for the traditionally …

A GPT‐4 Reticular Chemist for Guiding MOF Discovery

Z Zheng, Z Rong, N Rampal, C Borgs… - Angewandte Chemie …, 2023 - Wiley Online Library
We present a new framework integrating the AI model GPT‐4 into the iterative process of
reticular chemistry experimentation, leveraging a cooperative workflow of interaction …

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 research group for optimizing the crystallinity of mofs and cofs

Z Zheng, O Zhang, HL Nguyen, N Rampal… - ACS Central …, 2023 - ACS Publications
We leveraged the power of ChatGPT and Bayesian optimization in the development of a
multi-AI-driven system, backed by seven large language model-based assistants and …