Fig. 1: Overview of the dynamic chemical operations execution.
From: An integrated self-optimizing programmable chemical synthesis and reaction engine
The procedure, illustrated using χDL syntax, may be executed sequentially one step after another or dynamically, e.g. as highlighted with AddDynamic where a Wait step is inserted if the temperature rises above given threshold. With integrated analysis and corresponding χDL step (Analyze), the procedure could run iterative with dynamic update of its parameters, thus allowing for closed-loop reaction conditions optimization. The Setup step represents the definition of the hardware configuration of the system and the chemical procedure defined digitally in the χDL code. In the Execution step these components are used to operate the physical robotic system to achieve the defined chemical operations, including the collection of analytical data about the execution. In the Optimization step, the data is analysed and algorithms are used to predict parameters for the next round of experiments.
