Simuck F. Yuk

Understanding the Role of Metal and Molecular Structure on the Electrocatalytic Hydrogenation of Oxygenated Organic Compounds

Juan A. Lopez‐Ruiz, Evan Andrews, Sneha A. Akhade et al. · ACS Catalysis · 2019 · 140 citations · Full text

Electrocatalytic Hydrogenation, Engineering, Carbonyl Reduction +16

Effect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations

Greg Collinge, Simuck F. Yuk, Manh‐Thuong Nguyen et al. · ACS Catalysis · 2020 · 110 citations · Full text

Engineering, Collective Dynamics, Computational Chemistry +20

Understanding Heterolytic H₂ Cleavage and Water-Assisted Hydrogen Spillover on Fe₃O₄(001)-Supported Single Palladium Atoms

Nassar Doudin, Simuck F. Yuk, Matthew D. Marcinkowski et al. · ACS Catalysis · 2019 · 87 citations

Single Palladium Atoms, Chemical Engineering, Water-assisted Hydrogen Spillover +14

<i>Ab initio</i> molecular dynamics with enhanced sampling in heterogeneous catalysis

GiovanniMaria Piccini, Mal‐Soon Lee, Simuck F. Yuk et al. · Catalysis Science & Technology · 2021 · 86 citations · Full text

Engineering, Computational Chemistry, Chemistry +17

Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects

Simuck F. Yuk, Krishna Chaitanya Pitike, Serge Nakhmanson et al. · Scientific Reports · 2017 · 84 citations · Full text