Abstract: Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams at Solid-Liquid Interfaces on Transition Metal Surfaces (2018 AIChE Annual Meeting)

529093 Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams at Solid-Liquid Interfaces on Transition Metal Surfaces

Olga Vinogradova¹, Dilip Krishnamurthy², Vikram Pande² and Venkatasubramanian Viswanathan², (1)Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, (2)Carnegie Mellon University, Pittsburgh, PA

See more of this Session: Data Science in Catalysis II
See more of this Group/Topical: Catalysis and Reaction Engineering Division