324 citations · 734 across the 11 of their papers we have counts for
5 papers · 1 filter
Adsorption energies are necessary but not sufficient to identify good catalysts
Shahana Chatterjee, Alexander Davis, Lena Podina +7
As a core technology for green chemical synthesis and electrochemical energy storage, electrocatalysis is central to decarbonization strategies aimed at combating climate change. I…
The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts
Richard Tran, Janice Lan, Muhammed Shuaibi +14
The development of machine learning models for electrocatalysts requires a broad set of training data to enable their use across a wide variety of materials. One class of materials…
Interpretable discovery of new semiconductors with machine learning
Hitarth Choubisa, Petar Todorović, Joao M. Pina +5
Machine learning models of materials accelerate discovery compared to ab initio methods: deep learning models now reproduce density functional theory (DFT)-calculated resul…
Effect of disorder on transport properties in a tight-binding model for lead halide perovskites
S. Ashhab, O. Voznyy, S. Hoogland +2
The hybrid organic-inorganic lead halide perovskite materials have emerged as remarkable materials for photovoltaic applications. Their strengths include good electric transport pr…
Magnetism and correlations in fractionally filled degenerate shells of graphene quantum dots
A. D. Guclu, P. Potasz, O. Voznyy +2
When an electron is confined to a triangular atomic thick layer of graphene [1-5] with zig-zag edges, its energy spectrum collapses to a shell of degenerate states at the Fermi lev…