Po-Wen Chen

Energetically Anchored Machine-Learning Interatomic Potential Embeddings for Reliable Hydrogen Evolution Electrocatalyst Prediction.

An energetically anchored machine-learning framework that integrates machine-learning interatomic potential (MLIP)-derived energetic descriptors with pretrained Crystal Hamiltonian Graph Neural Network (CHGNet) latent embeddings to predict DFT-defined hydrogen adsorption energetics across chemically diverse catalyst su...