This special issue entitled "Geofluids and Energy for the XXI Century" focuses on cutting edge research findings in the fields of geology, rock physics, petrophysics, geomechanics, and numerical modelling. In particular, specific problems regarding the management of underground resources are tackled in terms of their exploration, production, and environmental vulnerability and sustainability. The present volume contains contributions following the scientific session entitled "Georesources and Energy for the XXI Century" held in 2018 during the annual meeting of the Italian Geological Society, which included 30 oral and poster communications [1]. The main topic covered by the presentations dealt with the great uncertainty associated with the assessment of the effective properties of subsurface reservoirs of geofluids, in particular to the complex distribution of the inner heterogeneities due to depositional [2-4], diagenetic [5, 6], and/or tectonic processes [7-11]. Along these lines, the present volume includes scientific articles dealing with three main topics including conventional hydrocarbons, unconventional hydrocarbons and methane recovery from coal beds, and geothermal systems.