2 papers
cond-mat.mtrl-sci2026
Unified Mapping of Multi-Site Electrocatalytic Activity Using a Single Descriptor
A. Dana, D. Terrones, S. Gelin +1
We present a precise and general method to map the activity of electrocatalysts across multiple sites. Starting from a mean-field statistical mechanics model, we introduce an effec…
cond-mat.mtrl-sci2023
Cluster expansion by transfer learning for phase stability predictions
A. Dana, L. Mu, S. Gelin +2
Recent progress towards universal machine-learned interatomic potentials holds considerable promise for materials discovery. Yet the accuracy of these potentials for predicting pha…