Research Overview

With an interdisciplinary team of chemists and computer scientists, the MMLI will create frontier AI tools, dynamic open access databases, and fast, broadly accessible small molecule manufacturing and discovery platforms. Advanced AI and machine learning (ML) methods will be developed and deployed in the context of four key research Thrusts:

Thrust 1 Thrust 2

Thrust 1:

AI-Enabled Synthesis Planning

Thrust 2:

AI-Enabled Catalyst Discovery

Thrust 3 Thrust 4

Thrust 3:

Al-Enabled Manufacturing of Target Molecules and Materials

Thrust 4:

AlphaSynthesis Enabled Discovery of Novel Molecules and Materials