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
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Materials (46)

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

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