EvoMD-LLM: Learning the Language of Species Evolution in Reactive Molecular Dynamics

ArXi:2605.29394v1 Announce Type: new While large language models (LLMs) excel at static scientific reasoning, they struggle to model the temporal structure of dynamic physical processes. We present EvoMD-LLM (Evolutionary Molecular Dynamics Large Language Model), a framework that reformulates species-level molecular dynamics as a symbolic temporal language modeling problem.