ABSTRACT Heavy haul transportation enjoys the benefits of cost-efficiency by using long trains, but suffers from high cost in combination process and low efficiency in bottleneck areas. Virtual coupling technology (VCT) is helpful in resolving the dilemma. In this paper, we propose an optimal method for scheduling the route, timetable, and combination scheme of heavy haul trains with VCT in an integrated way. Specifically, six groups of constraints are first established, in which the sequence and train length problems incorporated by virtual coupling are properly handled. Then, a combined objective function comprised makespan and total flowtime indicators is proposed to optimize the throughput and turnover rate and further speeds up the optimization convergence. Finally, the optimization problem equipped with the proposed constraints and the combined objective function is transformed into an integer linear programming problem and solved by GUROBI. Simulation results demonstrate the effectiveness and advantages of the proposed method in leveraging VCT, and the benefits of virtual coupling over traditional physical coupling for heavy haul transportation.