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.stat-mech2026
Nudged Elastic Membranes for Constructing Reduced Two-Dimensional Potential Energy Surfaces
Uday Sankar Manoj, Nicole Drew, Ismaila Dabo +1
Path optimization methods have been widely used and highly successful for the analysis of chemical reactions. Yet, they can fail to capture intrinsically multidimensional features…