Inverse design of multicomponent assemblies

A ring of rings and other multicomponent assemblies of cages.

Ring a ring of roses: Spectacular nanoscale molecular assemblies have been created by design of individual polymetallic components that are then linked together through simple reactions. These include an assembly where six octametallic rings surround a dodecametallic central ring.

Sequential, kinetically controlled synthesis of multicomponent stereoisomeric assemblies.

The reversibility of noncovalent and metal–ligand interactions has widely been exploited to synthesize a plethora of supramolecular and coordination-based assemblies under thermodynamic control. Occasionally, entrapment in local energy minima leads to the formation of metastable products, which are often converted into lower-energy products upon prolonged reaction times. In contrast, self-assem...

Multicomponent batch distillation column design

Design of Thermoelectric Modules and Assemblies

I Lead and directly contribute to research currently focused on analysis of convection in the presence of apparent slip and thermal management of electronics.

Inverse Reward Design

Autonomous agents optimize the reward function we give them. What they don’t know is how hard it is for us to design a reward function that actually captures what we want. When designing the reward, we might think of some specific training scenarios, and make sure that the reward will lead to the right behavior in those scenarios. Inevitably, agents encounter new scenarios (e.g., new types of t...