Full-State Vector Simulation of Quantum Time Evolution at Scale

Join us for a talk by our postdoc Marek Miller, who has carried out one of the largest ever simulation of a quantum computation with the new Gefion AI Supercomputer! After the talk there will be time for questions as well as informal chat over light refreshments. 

Everyone is welcome to join either in person in Vibenshuset og online via Zoom: https://ucph-ku.zoom.us/j/65584424519

abstract:
Large-scale classical simulation of quantum computers is crucial for benchmarking quantum algorithms, establishing boundaries of quantum advantage and exploring heuristic quantum algorithms. I would like to present a full-state vector simulation algorithm and software implementation designed to perform HPC simulation of layers of rotations of Pauli strings. In a report, published recently as arXiv:2504.17881, together with the authors, we demonstrated robust scalability of the simulation method on large distributed CPU and GPU systems. Our distributed computation harnessed up to 16 384 CPU cores and 512 NVIDIA H100 GPUs, using 32 TB of memory. The simulator significantly outperforms other high-performance libraries, showing a typical speedup of 10 − 100 for large-scale multi-GPU workloads. As a first application of our approach, we report a numerical experiment aimed at simulating exactly Hamiltonian dynamics of up to 40 qubits to investigate the Trotter error for a quantum chemistry problem.

The accompanying scientific manuscript is available here: https://arxiv.org/abs/2504.17881