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 …

Are large language models superhuman chemists?

A Mirza, N Alampara, S Kunchapu… - arxiv preprint arxiv …, 2024 - arxiv.org
Large language models (LLMs) have gained widespread interest due to their ability to
process human language and perform tasks on which they have not been explicitly trained …

MatText: Do language models need more than text & scale for materials modeling?

N Alampara, S Miret, KM Jablonka - arxiv preprint arxiv:2406.17295, 2024 - arxiv.org
Effectively representing materials as text has the potential to leverage the vast
advancements of large language models (LLMs) for discovering new materials. While LLMs …

AI-driven inverse design of materials: Past, present and future

XQ Han, XD Wang, MY Xu, Z Feng, BW Yao… - Chinese Physics …, 2024 - iopscience.iop.org
The discovery of advanced materials is the cornerstone of human technological
development and progress. The structures of materials and their corresponding properties …

Honeycomb: A flexible llm-based agent system for materials science

H Zhang, Y Song, Z Hou, S Miret, B Liu - arxiv preprint arxiv:2409.00135, 2024 - arxiv.org
The emergence of specialized large language models (LLMs) has shown promise in
addressing complex tasks for materials science. Many LLMs, however, often struggle with …

Mmsci: A multimodal multi-discipline dataset for phd-level scientific comprehension

Z Li, X Yang, K Choi, W Zhu, R Hsieh… - AI for Accelerated …, 2024 - openreview.net
The rapid advancement of Large Language Models (LLMs) and Large Multimodal Models
(LMMs) has heightened the demand for AI-based scientific assistants capable of …

Improving llm reasoning through scaling inference computation with collaborative verification

Z Liang, Y Liu, T Niu, X Zhang, Y Zhou… - arxiv preprint arxiv …, 2024 - arxiv.org
Despite significant advancements in the general capability of large language models
(LLMs), they continue to struggle with consistent and accurate reasoning, especially in …

Two heads are better than one: A multi-agent system has the potential to improve scientific idea generation

H Su, R Chen, S Tang, X Zheng, J Li, Z Yin… - arxiv preprint arxiv …, 2024 - arxiv.org
The rapid advancement of scientific progress requires innovative tools that can accelerate
discovery. While recent AI methods, particularly large language models (LLMs), have shown …

CiteME: Can Language Models Accurately Cite Scientific Claims?

O Press, A Hochlehnert, A Prabhu… - arxiv preprint arxiv …, 2024 - arxiv.org
Thousands of new scientific papers are published each month. Such information overload
complicates researcher efforts to stay current with the state-of-the-art as well as to verify and …

The Synergy between Data and Multi-Modal Large Language Models: A Survey from Co-Development Perspective

Z Qin, D Chen, W Zhang, L Yao, Y Huang… - arxiv preprint arxiv …, 2024 - arxiv.org
The rapid development of large language models (LLMs) has been witnessed in recent
years. Based on the powerful LLMs, multi-modal LLMs (MLLMs) extend the modality from …