Abstract Scope |
In this talk, I will describe our Robotic-Accelerated Perovskite Investigation and Discovery (RAPID) project. The first generation of RAPID uses inverse temperature crystallization (ITC) to grow halide perovskite single crystals for x-ray structure determination and bulk characterization using commercial liquid handling robots. The second generation of RAPID uses antisolvent vapor diffusion, expanding the types of chemical processes we can study. In parallel, we’ve developed a reusable data management software, ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) to facilitate data and metadata capture. Using the RAPID+ESCALATE technology stack, we’ve been able to discover dozens of new compounds, increased scientist productivity, used statistical “automated serendipity” to use ambient condition fluctuations to identify (and subsequently test) new hypotheses regarding crystal formation, and benchmarked a variety active- and meta-learning algorithms for experiment selection in a laboratory setting. |