Table 3 Walltime (in minutes) required to grow the wave-function ansatz of size Nadapt for a given molecular system using Hyperion-1 state-vector emulator on Ngpus NVIDIA GPUs
From: Shortcut to chemically accurate quantum computing via density-based basis-set correction
Molecule/basis set | Nadapt | Nqubits | Ngpus | A100 walltime [min] | H100 walltime [min] |
|---|---|---|---|---|---|
H2O/6-31G | 500 | 24 | 1 | 644 | 503 |
H12/STO-3G | 500 | 24 | 1 | 174 | 134 |
H14/STO-3G | 300 | 28 | 8 | 283 | 184 |
H16/STO-3G | 100 | 32 | 128 | 450 | 147 |
