Carbon fiber powder (CFP) was first applied to conductive asphalt concrete as a conductive phase material, but its action mechanism has not been clarified. In this paper, atomic force microscopy (AFM) and molecular dynamics (MDs) simulation are used to study the carbon fiber powder mechanism of action, guide the preparation of conductive asphalt concrete, and study the electrothermal properties of conductive asphalt concrete. The results show that carbon fiber powder weakens the adhesion property of asphalt mastic, and this weakening further strengthens in the water–temperature coupling, so water stability and conductivity are used as evaluation indicators to determine that the optimal content of carbon fiber powder is 2.0% and that the optimal content of carbon fibers (CFs) is 0.4%. Carbon fiber–carbon fiber powder conductive asphalt concrete with a resistivity of 0.98 $\mathsf{\Omega }·\mathrm{m}$ was finally prepared. In the temperature rise test of the Marshall specimen and rutting slab, its warming effect is obvious, and the heat transformation rate is more than 75%, so it has a very good ability to melt snow and ice.