214 citations · 214 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023★ 214 cited
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 +50
Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To…
physics.chem-ph2023
Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks
Mayk Caldas Ramos, Andrew D. White
Aqueous solubility is a valuable yet challenging property to predict. Computing solubility using first-principles methods requires accounting for the competing effects of entropy a…