In geological history, one major life explosion and five mass extinction events occurred. These major biological and environmental events affected the evolution of the Earth ecosystem and controlled the formation of organic-rich strata. The life explosion occurred in Cambrian and the five mass extinction events happened at the end of Ordovician, Late Devonian, end of Permian, end of Triassic, and end of Cretaceous, respectively. They are corresponded to the formation of multiple suites of organic-rich strata globally, which are crucial to the formation, evolution and distribution of the fossil energy on Earth. China’s energy is characterized by “unlimited new energy, rich in coal but insufficient in oil and gas “, and it is determined to rely on new energy sources to achieve” energy independence “and carbon neutrality. From the perspective of the Earth system evolution, we investigate the multiple relationships between energy and Earth, energy and environment, as well as energy and human beings, and carry out comprehensive research on energy. Energy science refers to the science of studying the various energy sources formation and distribution, evaluation and selection, production and utilization, orderly replacement, development prospects, etc. in temporal and spatial scales based on the evolution of the Earth system. The connotation of energy science includes three core contents: (1) The relationship between the Earth and energy, including the formation of energy in the Earth system and the feedback of energy consumption to the Earth’s climate and environment; (2) The relationship between the Earth environment and the human beings, including the Earth environment breeding human beings and human activities transforming the earth environment; (3) The relationship between the energy and the human beings, including the development of energy technology by human beings and the progress of human society driven by energy utilization. The energy science focuses on the formation and development of fossil energy, development and orderly replacement of new energy, exploration and utilization of energy in deep earth and deep space, and energy development strategy and planning. The proposal of energy science is of great significance for improving the discipline system, promoting energy development, clarifying the development direction of energy transition, driving the carbon neutral geology research and constructing a habitable Earth.