Abstract $$\hbox {MoSe}_2$$ MoSe 2 is a layered transition-metal dichalcogenide (TMD) with outstanding electronic and optical properties. which is widely used in field-effect transistor (FET). Here the structural evolution and phase transition of $$\hbox {MoSe}_2$$ MoSe 2 under high pressure are systematically studied by CALYPSO structural search method and first-principles calculatio... https://leoners.shop/product-category/futon/