Revolutionizing Chemistry and Material Innovation: An Iterative Theoretical-Experimental Paradigm Leveraged by Robotic AI Chemists

B Zhang, Z Zhu, H Li, J Cao, J Jiang - CCS Chemistry, 2025 - chinesechemsoc.org
Chemistry and material innovation is undergoing a transformative shift with the integration of
advanced computational and experimental technologies over the past few decades. More …

A multi-agent-driven robotic AI chemist enabling autonomous chemical research on demand

T Song, M Luo, L Chen, Y Huang, Q Zhu, D Liu… - 2024 - chemrxiv.org
The successful integration of large language models (LLMs) into laboratory workflows has
demonstrated robust capabilities in natural language processing, autonomous task …

Explainable Synthesizability Prediction of Inorganic Crystal Structures using Large Language Models

S Kim, J Schrier, Y Jung - 2024 - chemrxiv.org
We evaluate the ability of machine learning to predict whether a hypothetical crystal
structure can be synthesized and explain those predictions to scientists. Fine-tuned large …

Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models

S Kim, J Schrier, Y Jung - 2025 - chemrxiv.org
We evaluate the ability of machine learning to predict whether a hypothetical crystal
structure can be synthesized and explain those predictions to scientists. Fine-tuned large …

Physics-informed dual-objective optimization of high-entropy-alloy nanozymes by a robotic AI chemist

M Luo, Z Xie, H Li, B Zhang, J Cao, Y Huang, Q Zhu… - 2024 - chemrxiv.org
Engineering artificial nanozymes as substitutes for natural enzymes presents a significant
scientific challenge. High entropy alloys (HEAs) have emerged as promising candidates for …

Im Weltall autonom synthetisieren

R Schmid, X Xiong - Nachrichten aus der Chemie, 2024 - Wiley Online Library
Sauerstoff auf dem Mars synthetisieren? Chinesische Forscher meinen, das sei eine
Aufgabe für einen Maschinenchemiker. Dafür muss er chemische Daten erfassen …