The Governing Council of the University of Toronto

Purpose

The discovery of advanced materials is crucial for developments and improvements in various aspects of our modern society, from energy production and storage to public health. However, the slow and costly development process needed to discover new materials hinders our ability to achieve a low-carbon economy. Autonomous laboratories integrate automated experimentation, artificial intelligence (AI), and high-performance computing (HPC) into a single platform to substantially accelerate scientific discovery. However, their deployment is currently limited by the lack of a robust software connection between automated platforms and experiment planning methods. This link is essential for the successful implementation of a fully operational autonomous laboratory that does not require human supervision. The project will set out to develop a versatile control software representing a first step toward leveraging the potential of autonomous laboratories. This project will substantially expand the capabilities of the earlier generation of control software developed by allowing it to interface with HPC for quantum chemical calculations, assess the robustness of the solutions found, and employ generative models to propose new candidate materials.