most citedRepresenting Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions

2 citations · 2 across the 1 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2022★ 2 cited

Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions

Evan R. Antoniuk, Peggy Li, Bhavya Kailkhura +1

One of the grand challenges of utilizing machine learning for the discovery of innovative new polymers lies in the difficulty of accurately representing the complex structures of p…

cond-mat.mtrl-sci2018

Machine learning-assisted discovery of many new solid Li-ion conducting materials

Austin D. Sendek, Ekin D. Cubuk, Evan R. Antoniuk +3

We discover many new crystalline solid materials with fast single crystal Li ion conductivity at room temperature, discovered through density functional theory simulations guided b…