Supporting Data for "Direct bicomponent Monte Carlo simulations for adsorption of CO2 and H2O in CALF-20 using machine learning interatomic potentials"
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Input, output, and workflow files for "Direct bicomponent Monte Carlo simulations for adsorption of CO2 and H2O in CALF-20 using machine learning interatomic potentials"
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Zenodo创建时间:
2026-10-29



