Graph neural networks for materials science and chemistry
Abstract Machine learning plays an increasingly important role in many areas of chemistry
and materials science, being used to predict materials properties, accelerate simulations …
and materials science, being used to predict materials properties, accelerate simulations …
Self-driving laboratories for chemistry and materials science
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …
Through the automation of experimental workflows, along with autonomous experimental …
ChatGPT chemistry assistant for text mining and the prediction of MOF synthesis
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 …
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 …
discovered in the early 21st century that have become an attractive class of emerging …
Metal-catalysed C–H bond activation and borylation
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 …
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
Metal–organic frameworks (MOFs) have captivated researchers for over 25 years, yet few
have successfully transitioned to commercial markets. This Perspective elucidates the …
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
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 …
almost boundless number of materials some of which can be a substitute for the traditionally …
A GPT‐4 Reticular Chemist for Guiding MOF Discovery
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 …
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 …
research, owing to their high porosity, crystallinity, and structural and compositional diversity …
Chatgpt research group for optimizing the crystallinity of mofs and cofs
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 …
multi-AI-driven system, backed by seven large language model-based assistants and …