The Materials Modeling Quantum Complexity Database

Supported by:
UKRI: UK Research and Innovation

Simulation of materials is one of the most promising applications of quantum computers. This database outlines properties of materials developed by researchers using Phasecraft’s new quantum algorithm design for materials modelling, where quantum-circuit depth is independent of the system’s size.

Each material lists the current circuit depth and number of qubits needed, along with the main structural properties of the material and details on where the original information about the structure was obtained.

Our methodology

Materials (46)

Al2O3
QubitsDepth
Baseline8106.185×10^8
Phasecraft1,36839,461
AlAs
QubitsDepth
Baseline1,5003.999×10^9
Phasecraft2,37026,557
BN
QubitsDepth
Baseline1,7646.563×10^9
Phasecraft2,49031,237
BaBiO3
QubitsDepth
Baseline3,2504.26×10^10
Phasecraft5,62053,891
BaIrO3
QubitsDepth
Baseline4,0008.041×10^10
Phasecraft6,37081,052
BaMnO3
QubitsDepth
Baseline8647.535×10^8
Phasecraft1,36848,555
BaNiO3
QubitsDepth
Baseline8647.535×10^8
Phasecraft1,36846,837
BaRuO3
QubitsDepth
Baseline4,0008.041×10^10
Phasecraft6,37086,132
BaS
QubitsDepth
Baseline1,0001.157×10^9
Phasecraft2,12016,508
C
QubitsDepth
Baseline1,4583.657×10^9
Phasecraft4,12827,476
CaCuO2
QubitsDepth
Baseline7023.993×10^8
Phasecraft1,15213,620
CaO
QubitsDepth
Baseline1,0001.157×10^9
Phasecraft2,12023,344
CaVO3
QubitsDepth
Baseline8647.535×10^8
Phasecraft1,26046,399
CdSe
QubitsDepth
Baseline4861.297×10^8
Phasecraft9909,910
CsPbF3
QubitsDepth
Baseline7023.993×10^8
Phasecraft1,20612,316
CsPbI3
QubitsDepth
Baseline3,2504.26×10^10
Phasecraft5,62043,429
CuO
QubitsDepth
Baseline1,3502.907×10^9
Phasecraft3,96471,709
Fe2O3
QubitsDepth
Baseline1,1341.731×10^9
Phasecraft1,63835,273
GaAs
QubitsDepth
Baseline1,5003.506×10^9
Phasecraft1,0248,394
H3S
QubitsDepth
Baseline1,5003.5×10^10
Phasecraft1,87037,319
HfO2
QubitsDepth
Baseline3,0003.335×10^10
Phasecraft3,120166,018
LaFeO3
QubitsDepth
Baseline1,1341.731×10^9
Phasecraft1,36847,321
LaNiO3
QubitsDepth
Baseline1,1341.731×10^9
Phasecraft1,36831,007
LaTiO3
QubitsDepth
Baseline5,2501.848×10^11
Phasecraft6,870126,864
Li2CuO2
QubitsDepth
Baseline1,2602.085×10^9
Phasecraft1,1207,900
LiNiO2
QubitsDepth
Baseline3,8226.991×10^10
Phasecraft5,43088,893
MgO
QubitsDepth
Baseline1,0001.157×10^9
Phasecraft2,12026,973
NaCl
QubitsDepth
Baseline1,0001.157×10^9
Phasecraft2,1207,296
Nb2O5
QubitsDepth
Baseline4,0508.379×10^10
Phasecraft5,16440,481
NbO2
QubitsDepth
Baseline1,5124.118×10^9
Phasecraft3,830121,307
NiO2
QubitsDepth
Baseline1,8007.01×10^9
Phasecraft2,61418,356
PbHfO3
QubitsDepth
Baseline4,5001.153×10^11
Phasecraft5,62067,944
PbTiO3
QubitsDepth
Baseline4,5001.153×10^11
Phasecraft6,12065,265
PdO
QubitsDepth
Baseline1,3502.907×10^9
Phasecraft3,964144,452
Si
QubitsDepth
Baseline7504.263×10^8
Phasecraft1,1208,507
SiC
QubitsDepth
Baseline1,5003.999×10^9
Phasecraft1,12018,626
Sr2RuO4
QubitsDepth
Baseline1,0801.491×10^9
Phasecraft1,80024,471
SrMoO3
QubitsDepth
Baseline4,0008.041×10^10
Phasecraft5,87059,199
SrTiO3
QubitsDepth
Baseline8647.535×10^8
Phasecraft1,26043,672
SrVO3
QubitsDepth
Baseline8646.694×10^8
Phasecraft180884
SrZrO3
QubitsDepth
Baseline8647.535×10^8
Phasecraft1,09811,431
TaO2
QubitsDepth
Baseline1,0801.477×10^9
Phasecraft2,73460,171
TiO2
QubitsDepth
Baseline1,8007.01×10^9
Phasecraft2,61454,697
YFeO3
QubitsDepth
Baseline1,1341.731×10^9
Phasecraft1,36853,986
YVO3
QubitsDepth
Baseline5,2501.848×10^11
Phasecraft5,37072,984
ZnSe
QubitsDepth
Baseline2,2501.383×10^10
Phasecraft4,62079,071

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