The focus of the second prompt (Fig. "prompt 2 -input" box) is to teach GPT-4 the EasyMax domain-specific XML structure. Although XML format in general can be familiar to LLMs, this iControl tailored structure and hierarchy are unseen to GPT-4. A minimal experimental design over iControl can be divided into two elements: an operation sequence (<OperationSequence>) and a chemicals list (<Chemicals>). The XML template includes the schema and contains necessary operations (heat, stir, add, dose, wait and end) organized in the <OperationSequence> container. It also includes sample entries for solid and liquid chemicals in the <Chemicals> element, showcasing the iControl domainspecific XML's structure and hierarchy. The instructions in this prompt aim to map the operation names to the experimental operations, especially to differentiate solvent dosing from other reagent additions (solid or liquid) as the operation name may not be self-explanatory. The instruction also requests the generation of a 128-bit Universally Unique IDentifier (UUID) for every operation to replace the TrackingID placeholder in the XML template. This step is important for iControl experiment, as it ensures each chemical or operation is distinctly identifiable and traceable during execution. For example, the add operation identifies the chemical to be added from the chemical list by referencing its TrackingID. Lastly, the instruction indicates that all chemicals used in the experiment should be defined in <Chemicals> to ensure correct reference in reagent addition operations. Detailed prompts used can be found in ESI † Table .