A review of large language models and autonomous agents in chemistry

MC Ramos, CJ Collison, AD White - Chemical Science, 2025 - pubs.rsc.org
Large language models (LLMs) have emerged as powerful tools in chemistry, significantly
impacting molecule design, property prediction, and synthesis optimization. This review …

Recent advances in artificial intelligence boosting materials design for electrochemical energy storage

X Liu, K Fan, X Huang, J Ge, Y Liu, H Kang - Chemical Engineering …, 2024 - Elsevier
In the rapidly evolving landscape of electrochemical energy storage (EES), the advent of
artificial intelligence (AI) has emerged as a keystone for innovation in material design …

Large language models for inorganic synthesis predictions

S Kim, Y Jung, J Schrier - Journal of the American Chemical …, 2024 - ACS Publications
We evaluate the effectiveness of pretrained and fine-tuned large language models (LLMs)
for predicting the synthesizability of inorganic compounds and the selection of precursors …

An intelligent approach: Integrating ChatGPT for experiment planning in biochar immobilization of soil cadmium

H Yang, J Wang, R Mo, P Hu, X Liu, Y Liu, J Cui… - Separation and …, 2025 - Elsevier
Immobilization of cadmium (Cd) in soil is a complex systematic process in which biochar
materials and experimental conditions need to be selected from an infinite space of …

Knowledge graph representation of zeolitic crystalline materials

A Kondinski, P Rutkevych, L Pascazio, DN Tran… - Digital …, 2024 - pubs.rsc.org
Zeolites are complex and porous crystalline inorganic materials that serve as hosts for a
variety of molecular, ionic and cluster species. Formal, machine-actionable representation of …

When Metal Nanoclusters Meet Smart Synthesis

Z Yang, A Shi, R Zhang, Z Ji, J Li, J Lyu, J Qian… - ACS …, 2024 - ACS Publications
Atomically precise metal nanoclusters (MNCs) represent a fascinating class of ultrasmall
nanoparticles with molecule-like properties, bridging conventional metal–ligand complexes …

Full Spectral Overlap to Enhanced Fluorescence Quenching Ability by Using Covalent Organic Frameworks as a Springboard of Quencher for the Turn-on …

Y Cheng, X Li, S Xue, X Yin, Y Li, J Wang… - Analytical …, 2025 - ACS Publications
According to the fluorescence internal filtering effect (IFE), the more the absorption spectrum
of the quencher overlaps with the excitation and emission spectra of the fluorescent …

Subtraction Descriptors in Machine Learning for Optimizing the Cocatalyst Effect of Cobalt Phosphate on Hematite Photoanodes

S Chen, Y Nagai, Z Pan… - ACS Applied Materials & …, 2024 - ACS Publications
In the quest for sustainable energy solutions, the optimization of the photoelectrochemical
(PEC) performance of hematite photoanodes through cocatalysts represents a promising …

Performance of chatbots in queries concerning fundamental concepts in photochemistry

M Taniguchi, JS Lindsey - Photochemistry and Photobiology, 2024 - Wiley Online Library
The advent of chatbots raises the possibility of a paradigm shift across society including the
most technical of fields with regard to access to information, generation of knowledge, and …

Exploring large language models for microstructure evolution in materials

P Satpute, S Tiwari, M Gupta, S Ghosh - Materials Today Communications, 2024 - Elsevier
There is a significant potential for coding skills to transition fully to natural language in the
future. In this context, large language models (LLMs) have shown impressive natural …