1 citations · 1 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023
Robust Gaussian Process Regression method for efficient reaction pathway optimization: application to surface processes
Wei Fang, Yu-Cheng Zhu, Yi-Han Cheng +2
Simulation of surface processes is a key part of computational chemistry that offers atomic-scale insights into mechanisms of heterogeneous catalysis, diffusion dynamics, as well a…
physics.chem-ph2022★ 1 cited
Quantum tunnelling driven H formation on graphene
Erxun Han, Wei Fang, Michail Stamatakis +2
It is commonly believed that it is unfavourable for adsorbed H atoms on carbonaceous surfaces to form H without the help of incident H atoms. Using ring-polymer instanton theor…