2 papers
physics.chem-ph2024
Tell machine learning potentials what they are needed for: Simulation-oriented training exemplified for glycine
Fuchun Ge, Ran Wang, Chen Qu +6
Machine learning potentials (MLPs) are widely applied as an efficient alternative way to represent potential energy surfaces (PES) in many chemical simulations. The MLPs are often…
cond-mat.mtrl-sci2024
Atomic-scale effect of 2D Ï-conjugated metal-organic frameworks as electrocatalysts for CO2 reduction reaction towards highly selective products
Ran Wang, Chaozheng He, Weixing Chen +2
Electrocatalytic CO2 reduction technology is key to mitigating greenhouse gas emissions and the energy crisis. However, controlling the selectivity of CO2RR products at low overpot…