2 citations · 4 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024★ 2 cited
BEAST DB: Grand-Canonical Database of Electrocatalyst Properties
Cooper Tezak, Jacob Clary, Sophie Gerits +12
We present BEAST DB, an open-source database comprised of ab initio electrochemical data computed using grand-canonical density functional theory in implicit solvent at consistent…
cond-mat.mtrl-sci2024★ 2 cited
Leveraging Domain Adaptation for Accurate Machine Learning Predictions of New Halide Perovskites
Dipannoy Das Gupta, Zachary J. L. Bare, Suxuen Yew +5
We combine graph neural networks (GNN) with an inexpensive and reliable structure generation approach based on the bond-valence method (BVM) to train accurate machine learning mode…