Table 4 Resource estimates for diamond and nickel oxide with different number of atoms in the supercell (8 and 64 atoms)
From: Quantum simulations of chemistry in first quantization with any basis set
System | Method | (Electrons, Orbitals) | Logical qubits | Toffolis | Physical qubits |
|---|---|---|---|---|---|
Diamond-8 | This work (min-Qu) | (48, 4096) | 759 | 2.69 × 1011 | 3.76 × 106 |
This work (min-T) | 2285 | 3.88 × 1010 | 1.03 × 107 | ||
2nd Q. (DPW)43 | 8338 | 1.78 × 1014 | 6.27 × 107 | ||
1st Q. (PW)25 | (48, 3375) | 1508 | 5.35 × 1010 | 6.87 × 106 | |
Diamond-64 | This work (min-Qu) | (384, 32768) | 5976 | 1.51 × 1014 | 4.51 × 107 |
This work (min-T) | 21590 | 3.35 × 1012 | 1.33 × 108 | ||
2nd Q. (DPW)43 | 65702 | 3.86 × 1015 | 6.09 × 108 | ||
1st Q. (PW)25 | (384, 29791) | 6948 | 2.19 × 1012 | 4.08 × 107 | |
NiO-8 | This work (min-Qu) | (144, 4096) | 1919 | 1.99 × 1012 | 1.03 × 107 |
This work (min-T) | 3475 | 4.09 × 1011 | 1.85 × 107 | ||
2nd Q. (DPW)43 | 8338 | 1.43 × 1014 | 6.27 × 107 | ||
1st Q. (PW)25 | (144, 3375) | 2752 | 7.52 × 1011 | 1.47 × 107 | |
NiO-64 | This work (min-Qu) | (1152, 32768) | 17505 | 1.16 × 1015 | 1.43 × 108 |
This work (min-T) | 33500 | 4.15 × 1013 | 2.5 × 108 | ||
2nd Q. (DPW)43 | 65701 | 3.22 × 1015 | 5.84 × 108 | ||
1st Q. (PW)25 | (1152, 29791) | 18572 | 4.56 × 1013 | 1.39 × 108 |
