Applying AI to molecular engineering

We are coupling quantum mechanics and machine learning tools to create highly resolved models of complex chemical behavior.  These models can be used to predict the properties of new molecules as well as inversely design molecules with a desired behavior.

Who's working on this?

Medicines For All: Efficient Synthesis of Medicines

Our team's effort in this field is part of a large collaborative project.  Please see the Medicines for All home page for more details. 

Who's working on this?

In collaboration with Zaiput Flow Technologies, we are building continuous delivery of highly reactive organometallic materials in an safe and automated fashion.

Who's working on this?

We are designing highly tunable flourescent molecular systems for a variety of imaging applications.

Who's working on this?

Designing Molecular Platforms for Applied Functions

Virginia Commonwealth University