AI-Enabled Catalyst Discovery

Thrust 2

The AlphaSynthesis can be used for both manufacturing of target molecules with known functions (reverse synthesis) and discovery of molecules with new functions (forward synthesis). In both cases, identifying catalysts is critical to the success of implementing the synthetic routes. Therefore, the main goal of this Thrust is to develop new AI algorithms or approaches to discover and optimize catalysts that are required to implement the synthetic routes designed by AlphaSynthesis. In addition, these tools will be applied toward the realization of the four experimental endeavors and the catalysts required for the manufacturing of target molecules and materials in other Thrusts.


The Lead Researchers: