Research from the Open Lattice team. For collaborations or preprints, contact admin@openlattice.ai.
Introduces Chemical Dynamics Understanding, a task that converts four-dimensional molecular trajectories into natural-language explanations of dynamic phenomena such as bond breaking and conformational change. Presents Chem4DBench, a dataset pairing trajectories with expert explanations, and Chem4DLLM, which combines an equivariant graph encoder with a pretrained large language model to capture molecular geometry and rotational dynamics.