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• A bimetallic catalyst NiCo presented efficient hydrogenolysis of levulinic acid to 2-methyltetrahydrofuran. • The NiCo catalysts with different Ni/Co ratios showed distinct performance due to varied surface properties of catalysts. • Molecular dynamics simulations highlighted a high probability of forming a close position between two hydroxyl groups of the intermediate 1,4-pentanediol in a 2-propanol medium than other mediums. The production of furanic biofuel 2-methyltetrahydrofuran (2-MTHF) has been studied by hydrodeoxygenation of biomass-derived levulinic acid (LA) over bimetallic NiCo/γ-Al 2 O 3 catalyst. The contents of Ni and Co in NiCo/γ-Al 2 O 3 were investigated. The Ni 5 Co 25 /γ-Al 2 O 3 catalyst gave high activity in hydrodeoxygenation of LA with a 73.4% yield of 2-MTHF under optimal conditions. The crystal phase, valence states, acidity and basicity of catalysts were measured by multiple characterizations to understand the relationships among 2-MTHF yields and catalyst properties. XPS characterization revealed that the number of metal oxides increased on bimetallic catalysts while the reduced metals occupied on monometallic catalysts. The bimetallic catalysts also presented increased acidity than that of monometallic catalysts. These distinct properties were also observed among bimetallic catalysts with different contents of Ni and Co, which were responsible for different performances. Besides, the solvent effect on the structure of 1,4-pentanediol, which was further converted to 2-methyltetrahydrofuran, was disclosed by molecular dynamics simulations. [Display omitted] Insights into Ni/Co ratio of bimetallic NiCo catalyst and solvent effect on efficient hydrogenolysis of levulinic acid to furanic biofuel 2-methyltetrahydrofuran [ABSTRACT FROM AUTHOR]