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Machine-Learning Potentials for Molecular Dynamics Simulations of CO2 Chemisorption and Diffusion in Mg-MOF-74Binquan LuanBowen Zhenget al.2023MRS Spring Meeting 2023
MDLab: AI frameworks for Carbon Capture and Battery MaterialsBruce ElmegreenHendrik Hamannet al.2023ICR 2023
Quantum informed machine-learning potentials for modeling CO2 adsorption in metal organic frameworksBinquan LuanBowen Zhenget al.2023APS March Meeting 2023