Molecular dynamics without hand-written input files: ask for a material property in chat, and LAMMPS with UMA runs it and returns the error bar
nanoHUB has released MCP4MD, which connects LAMMPS and the UMA universal machine-learned potential to an AI assistant, so a user can describe a material property in natural language and have the calculation set up, run and read back. Previously such work meant installing software, writing input files and submitting queue scripts. Every number names the potential behind it and the reference it was fitted to, and arrives with error bars, units and qualifying warnings.