Fig. 3: The performance comparison between Neural Autoregressive Quantum States (NAQS)33 and QiankunNet in simulating real chemical systems.
From: Solving the many-electron Schrödinger equation with a transformer-based framework
The measurements here refer to the wall-clock time during which these two methods perform calculations until convergence is achieved. All runtime measurements were obtained with exclusive access to computational resources to ensure accurate benchmarking. Experiments were conducted on one NVIDIA A100 GPU. Source data for the results are provided as a Source Data file.
