collaborators

1 paper

cond-mat.mtrl-sci2025

Direct Deoxygenation of Phenol over Fe-based Bimetallic Surfaces using On-the-fly Surrogate Models

Isaac Onyango, Qiang Zhu

We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regressio…