Parallelizing the Variational Quantum Eigensolver: From JIT Compilation to Multi-GPU Scaling
The VQE algorithm was tested for hydrogen molecule energy surfaces across 100 bond lengths using an HPC cluster with four NVIDIA H100 GPUs. By combining JIT compilation, GPU acceleration, and MPI parallelization, the total speedup reached 117×, reducing computation time from nearly 10 minutes to just over 5 seconds. This demonstrates that VQE is practical for high-performance quantum chemistry on modern hardware.