2 citations · 2 across the 1 of their papers we have counts for
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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…
Discovery of stable surfaces with extreme work functions by high-throughput density functional theory and machine learning
Peter Schindler, Evan R. Antoniuk, Gowoon Cheon +2
The work function is the key surface property that determines how much energy is required for an electron to escape the surface of a material. This property is crucial for thermion…
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…