I am in computational chemistry which has some crossover with Materials Science. AI is useful for speeding up simulations, doing molecular interaction predictions, doing property predictions, doing molecular docking. LLMs are helpful as research assistants and helping design and run experiments. https://atomictessellator.com/
For example, my latest module (I am putting the finishing touches on this as we speak) uses LLMs to review catalysis literature and then summarize that and control another coding LLM that has been trained to run the simulation tools I created to try and reproduce the works in the papers. Yes, it works, the first catalyst discoveries were made just a few days ago.
For example, my latest module (I am putting the finishing touches on this as we speak) uses LLMs to review catalysis literature and then summarize that and control another coding LLM that has been trained to run the simulation tools I created to try and reproduce the works in the papers. Yes, it works, the first catalyst discoveries were made just a few days ago.