Bayesian Optimization of Catalysts With In-context Learning. - Mayk Caldas Ramos; Shane S. Michtavy; Marc D. Porosoff; Andrew D. White (CoRR, 2023)

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon. - Kevin Maik Jablonka; Qianxiang Ai; Alexander Al-Feghali; Shruti Badhwar; Joshua D. Bocarsly; Andres M. Bran; Stefan Bringuier; L. Catherine Brinson; Kamal Choudhary; Defne Circi; Sam Cox; Wibe A. de Jong; et al. (CoRR, 2023)

Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks. - Mayk Caldas Ramos; Andrew D. White (CoRR, 2023)

A Review of Large Language Models and Autonomous Agents in Chemistry. - Mayk Caldas Ramos; Christopher J. Collison; Andrew D. White (CoRR, 2024)

Training a Scientific Reasoning Model for Chemistry. - Siddharth Narayanan; James D. Braza; Ryan-Rhys Griffiths; Albert Bou; Geemi P. Wellawatte; Mayk Caldas Ramos; Ludovico Mitchener; Samuel G. Rodriques; Andrew D. White (CoRR, 2025)