Energy production and conversion have a significant impact on the economic development of all countries in the world. China’s energy production and conversion are large. Therefore, accurate mid-to-long term China’s energy production and conversion forecasting is becoming more and more important for integrating energy systems and energy strategic planning. For this purpose, a novel fractional grey sequence is proposed based on Grunwald–Letnikov fractional calculus. Furthermore, a novel self-adaptive fractional multivariable grey model is proposed based on the novel sequence. In this article, we compare several classical optimization algorithms and finally choose Particle Swarm Optimization (PSO) to compute the parameters. In addition, Monte-Carlo simulation and probability density analysis (PDA) are presented in this article to verify the model’s performance. Monte-Carlo simulation reduces the randomness of the results of the model runs to a certain extent. Probability density analysis visualizes this randomness through kernel density estimation (KDE). This paper compares the new model with the existing seven grey models and predicts the total energy consumption per capita, energy conversion efficiency and total renewable energy in China, respectively. The experimental results show that the new model is superior to the other seven models in terms of stability and prediction accuracy.