SACHIN S. BHARADWAJ1 and KATEPALLI R. SREENIVASAN1,2,3,4*
1 Department of Mechanical and Aerospace Engineering, New York University, New York 11201 USA
2 Department of Physics, New York University, New York 10012 USA
3 Courant Institute of Mathematical Sciences, New York University, New York 10012 USA
4 New York University, Abu Dhabi 129188, UAE
*Corresponding author. E-mail: katepalli.sreenivasan@nyu.edu
MS received 15 2020; revised 15 2020; accepted 15 2020
Abstract. . . .
Keywords. .
PACS Nos 12.60.Jv; 12.10.Dm; 98.80.Cq; 11.30.Hv

1.

. . . (HPC) (DNS) . . . . !

. “”. Richard Feynman  [1] . NISQ (Noisy Intermediate Scale Quantum)  [2] 50 . ( .) “” . (QC) . . (CFD).

CFD (QCFD). . 2 QC . 3 QC. ( 4) ( 5). 5 . 6 QC . 7 QCFD 7.

2.

QC .  [3].

2.1

“” “ ” “ ” . “”. .


PNLD_Bloch.jpeg Figure 1.  . α β γ


2.2

. . . Ψ . . (QED) Rydberg ( Majorana) (NMR) . . Hilbert . bra-ket Dirac “ket” |Ψ (n)

     ⌊  ⌋
     ||||c1||||
|ψ⟩ =|||||c2|||||;c ∈ ℂ
     ||||| ...|||||  i
     ⌈cn⌉
(1)

“bra” Ψ| = |Ψ. . Hilbert : |Ψ= (|ψ1⟩⊗... ⊗|ψn) n. ( ↑ ↓) |0⟩|1. 2

|Ψ ⟩ = c1|0⟩+ c2|1 ⟩,
(2)
    [ ]         [ ]
     1           0
|0⟩ = 0  and |1⟩ = 1 .
(3)

NOT.png Figure 2.  NOT



NOT1.png Figure 3.  NOT



NOT2.png Figure 4.  NOT


c1 c2 |c1|2 |c2|2 Born |0⟩ |1. . ( .) : . . Hilbert Bloch 1. (2)

        [   (β)          (β)  ]
|Ψ⟩ = eiα cos--|0⟩ + eiγsin  --|1⟩ ,
             2            2
(4)

α γ ( ) β . “ ” Bloch.


Table 1. 
Quantum Logic Gate Circuit Symbol Operation
   
X(Pauli X) X  |0⟩ → |1   |1⟩ → |0
Y(Pauli Y) Y  |0⟩ → i|1   |1⟩ → −i|0
Z(Pauli Z) Z  |0⟩ → |0   |1⟩ → −|1
H(Hadamard) H  |0⟩ → |0⟩+√|1⟩-
  2    |1⟩ →      |0⟩−√|1⟩
        2
Rϕ(Phase Shift) T  |0⟩ → |0   |1⟩ → eiϕ|1
   
CNOT |q|q12⟩⟩ |q 1,q2⟩ → |q1,q2 q1
SWAP ||qq1⟩2⟩ |q1,q2⟩ → |q2,q1
Tooli |q|q|q ⟩⟩⟩
 123 |q1,q2,q3⟩ → |q1,q2,q3 q1 q2

2.3

AND NOT OR NAND Tooli .

U (UU = 𝕀) . ( NOT) . 1.  [3].

. NOT . X σx Pauli. (q0) |ψ= √---
 0.6|0+ √---
 0.4|1
X = σx = [   ]
0  1
1  0.

[0  1][1]  [0]     [0 1 ][0]   [1 ]
          =    and          =    .
 1  0  0    1       1 0  1    0
(5)

|0⟩ → |1⟩|1⟩ → |0. (|c1|2 |c2|2) (c0) 2. . X NOT .

IBMQ Qiskit 3 4 . NOT |0⟩|1⟩ |ψ′⟩ = √0.4-|0+ √0.6-|1. . .

2.4

.


PNLD_Parallel.png Figure 5. 


Bf: {0,1} ↦→{0,1}. 0 1 . 2 |ψin= |q1q2q1,q2 ∈ {0,1}. ( ) Ff |q1,q2Ff
−−→|q1,q2 Bf (q1) 2 (  [3] ). Bf(0) Bf(1) . 5 : Hadamard : |0⟩⊗|0H−−−⊗→𝕀|0⟩+√|1⟩-
  2 ⊗|0. Ff

       |0,B f(0)⟩+ |1,Bf(1)⟩
|Ψ ⟩out =--------√---------.
                 2
(6)

Classification_PNLD.jpeg Figure 6.  QC

Bf(0) Bf(1). . Bf Deustch-Josza Simon  [3]. QC QC . .

3. :

: . QC 6 . QC: (1) (2) (3) . .

3.1

QC. :

(a) : Hubbard . Hamiltonian .

(b) : Schrödinger . Gross Pitaevski ( ) Monte Carlo .

3.2

. . . Boltzmann ODE Navier-Stokes.

3.3

. ODE/PDE .

. : (1) (2) .

4.

(DNS)  [45678] (LES)  [9106] Navier-Stokes Reynolds (RANS)  [611] Boltzmann (LBM)  [1213] . LBM Boltzmann “ ” . - 7. . LBM

(∂t + vα.∇)ρα(r,t) = Sαβ(ρeq(r,t)− ρβ(r,t)).
◟-----------------◝◜ -----------------◞   ◟----------β-------------◝◜-----------------------◞
    Advection          Scattering-Relaxation
(7)

v ρ S ρeq (  [13]). “” ( ) QC .


LBM.jpeg Figure 7.  LBM


4.1 LQC 1:

QC. QC ( QC ) QCs . (QLGA)  [1415] .

1D. (x,v)i vi . 1D . LBM 7 .

QLGA . 1D N 2 (q) (l) (r) . 2 |ψi = α|q1q2i + β|q1q2i q1,q2 ∈ {l,r} {|lr,|ll,|rr,|rl⟩}. Ŝ Â. L R ( ) ( p)

     (    )   (           )
S  =  L  R  =  cos p isin p
  1   R  L     isin p  cos p
(8)
     (          )  (                  )
     ||||1  0  0  0||||  ||||1    0      0    0||||
S2 = ||||0  L  R  0||||= ||||0  cos p  isin p  0||||,
     |||(0  R  L  0|||)  |||(0  isin p  cos p  0|||)
      0  0  0  𝜃    0    0      0    𝜃
(9)

|L|2 + |R|2 = 1 = |𝜃|2 𝜃 . :

Ψ(r,t + 1; ) = LΨ(r 1,t; ) + RΨ(r + 1,t; ) (10)
Ψ(r,t + 1; ) = LΨ(r + 1,t; ) + RΨ(r 1,t; ). (11)

L R p . Schrödinger. Dirac Schrödinger δr 0 δr2 0 δt 0 Chapman-Enskog  [141617].

. QLGA  [1617181920] Burgers  [21222324].

. LBM . 4 4 24 . QC 4 QCs . N Nq ( ) QC NT = N Nq . Hilbert 2NT 2Nq Hilbert C qi

Ψ(r1,..,rN,t) = ψ(ri,t)C ×(ψ(r1,t) .... ψ(rN,t)) (12)
= ψq i˜
C ×(ψq1 .... ψqN T ). (13)

Schrödinger (Â) (Ŝ)

Ψ(r,t + Δt) = eiHˆΔt∕ℏΨ(r,t) = AˆSˆΨ(r,t).
(14)

: Bravais R r Bloch ( ki N (period)).  [22] .

(a) nˆR = ĉRĉR. QCs NMR-QC ( ) ( ).

PR,t = Tr[(|Ψ(R, t)⟩⟨Ψ(R, t)|)nˆR] = Tr[ρ(t)ˆnR].
(15)

(b) d (ξ ξv)

ξ(r,t) = lim d0 ki,R1RN mTr[ρ(t)nˆRk i], (16)
ξ(r,t)v(r,t) = lim d0 ki,R1RN mv2r (RmodNq)Tr[ρ(t)ˆnRki]. (17)

( ) .

PR+dr,t+Δt = PR,t + ⟨Ψ(R,t)|ˆS†nˆR ˆS − ˆnR |Ψ(R, t)⟩,
(18)
⟨Ψ(R, t)|ˆS†ˆn Aˆ†|Ψ(R,t+Δt)⟩ = ⟨Ψ(R, t)|Sˆ†ˆn ˆA|Ψ(R,t)⟩.
          R                          R

U3 (IBMQ) 3 Euler  [2225]:

     (                    )
U  =   cos(𝜃2)    e−iλ sin(𝜃2)  .
 3    eiϕsin(𝜃2)  ei(ϕ+λ)cos(𝜃2)
(19)

0 (ϕ,λ) < 2π 0 𝜃 π. : (1) LBM QC (2) (3) LBM LBM . .

4.2 LQC 2: Dirac


circuit_amp_load.png Figure 8.  4

LBM Dirac  [122627]. . QC QC . (7) “ Dirac Majorana”  [28]

 ∂Ψ
i-∂t + iˆApb∇pbΨ = M Ψ,
(20)

Aˆ ( Cliord Pauli) M Hermitian. Cliord ( 3 Pauli) . “ Fock” . 1D |Ψ(x,t)i = dxP(x)|xi P(x) . ( Fock 2 2D |Ψ(x,t)i = dx1dx2P(x1, x2)|x1⟩|x2.) . “ ” |Ψ= iPi|si ⊗|Ψ(x,t). Dirac  [27]:

            (  iΔt  π  (               ))
e−iˆAΔt∕ℏ = exp −-----√--Z1 ⊗ I2 +X1 ⊗ σpb2  .
                ℏ 2  2
(21)

Zi Xi Pauli ith σpb . Ŝ “ ” (  [27] ) Ŝ eΔt = eÛ1+αÛ2. Lie-Trotter-Suzuki U3. . . -  [27]. QC QCs .

4.3 LQC 3:

d- (d+1)- . Monte-Carlo  [2930] -  [3132] . LQC 1 LQC2 .

Tr(eHβ) Feynman

   ∑
Z =   ⟨r|e−HΔβ∕N|r1⟩⟨r1|...|rN⟩⟨rN|e−HΔβ∕N|r⟩,
    r,ri
(22)

(d+1)- . 2D 1D . ( d d  [33].) . .

5.

( ) . .

. : (1) (2) (3) . QC. .

5.1

ODE/PDE . C++ int a = 10; a 10. . QC 10 a. . . :

(1) :  [343] . . 1  [35] QCs ( IBMQ) . 0 0. (i) (2 + i) √ --
  2i 1 ( ). N log 2N 2 :

      1(                 √--          )
|Ψ⟩ = --i|00⟩+ (2 + i)|01⟩ +  2i|10⟩ +1 |11⟩ .
      3
(23)

1  [35] 8. ( 19,59,29 and 19). ( ) Qiskit— IBM Quantum Experience— 9 .


Figure 9.  :

: c1,c2⋅⋅⋅cn

: Uload , |Ψf inal = c1|00...0+ c2|00...1+ ...+ cn|11...1

(Uzy)i Uy Uz

U (Uzy)i U

U = (Uzy)n ⋅⋅⋅(Uzy)1

Uload = U

|Ψf inal= Uload|Ψf inal= c1|00...0+ c2|00...1+ ... + cn|11...1

return Uload, |Ψf inal

DISENTANGLE(|Ψtemp):

|Ψlocal = |Ψtemp c1|00...q1+ c2|00...q2+ ... + cn|11...qn

return |Ψlocal c1|00...⟩⊗|q1+ c2|00...⟩⊗|q2+ ... + cn|11...⟩⊗|qn



hist_amp_load.png Figure 10.  IBMQ



circuit_load_4.png Figure 11.  4



density_load_4.png Figure 12.  3

(2) : ket . 10 1010. |ψ= |ϕ⟩⊗(|1+ |0+ |1+ |0). 4 |ψ= (|0⟩|0⟩⊗|1+ |0⟩|1⟩⊗|0+ |1⟩|0⟩⊗|1+ |1⟩|1⟩⊗|0) 1010. Controlled-SWAP X H Tooli 10. (  [36].)

11 ρ = ipi|ψiψ|i . 11 1010 . 6 4 . (N) log 2(N) . .

5.2

. .  [3373839].

. . von Neumann z |0⟩|1. . .

( ). .

QM: A ψi “a” :

  1. “a”

    P(a) = ⟨ψi|A†aAa|ψi⟩.
    (24)
  2.       ---Aa-|ψi⟩----
|ψ f⟩ = ∘ ----†------.
        ⟨ψi|AaAa|ψi⟩
    (25)

“a” |ψ. “” . . {|ψi}.

. . . pα {|ψα} ρ = αpα|ψα⟩⟨ψα|. ρ

  1. “a”

    P(a) = Tr(A†aAaρ).
    (26)
  2.      ---AaρA†a---
ρ f = ∘----†----.
       Tr(AaAaρ)
    (27)

Tr(ρ) = 1 ( ) . : POVM (Positive Operator Valued Measure). POVM {PV Ma} {AaAa} ψi|PV Ma|ψi= ψi|AaAa|ψi= P(a) 0 a PV Ma = aAaAa = 𝕀. POVM ∘Pa--
  VM = Aa.

. POVM . POVM {PV Ma, PV Mb and (PV Mc = 𝕀(PV Ma + PV Mb))} . . . . . .

5.3

. . . POVM . {𝕀2 X/2 Y/2 Z/2 }

ρ = 1(Tr(ρ)𝕀+ Tr(Xρ)X +Tr(Yρ)Y + Tr(Z ρ)Z ).
    2
(28)

Tr(Xρ). . . 1√ --
  N N Gaussian N . . .  [40]

  1. Bayesian.

Table 2. 
# Algorithm Description/Used in Complexity/Speed-up
1 Quantum Teleportation & Inter-circuit data communication & -
Entanglement  [3] a fundamental block of many algorithms
2 Superdense Coding  [3] Data compression & communication Compression Ratio 2:1
3 Quantum Fourier Transform DFT, Phase Estimation, Period Finding, Q: [Θ(n2),Θ(n log n)]
(QFT)  [3] Arithmetic, Discrete log & spectral methods C: Θ(n2n) (n=#gates)
4 Quantum Phase Estimation  [3] Quantum phases, Order Finding, Shor’s O(t2) operations**
Algorithm, HHL, Amplitude Amplification t = n +  ⌈   (   1-)⌉
  log  2+ 2𝜖
& Quantum Counting  [41]
5 Grover’s Search  [342] & Data search, Amplitude Estimation, Function Q: O(          --
        √ N)
Amplitude Amplification  [43] minima, approx. & Quantum counting C: O(N) (N=#ops)
6 Matrix Product Verification  [44] Verifies AB=C? (n×n matrices) Q: O(n53)); C: O(n2)
7 Quantum Simulation  [193] Integrates Schrödinger equation, HHL, superpoly
All Hamiltonian system simulations (eiHt) poly(n,t): n=dof, t= time
8 Gradients  [4546] Computes gradients, convex optimisation quadratic - superpoly
volume estimation, minimising quadratic forms
9 Partition Function  [46] & Evaluate/approx partition functions quadratic - superpoly
Sampling Pott’s, Ising Models & Gibbs sampling
10 Linear Systems & Solves AX=b for eigen values & vectors superpoly - exponential
HHL Algorithm  [4746] ODEs, PDEs, simultaneous eqns.
Optimisation, Finite Element Methods etc
11 ODE  [4846] Integrates ˙x = α(t)(x) + β(t) & similar forms superpoly - exponential
12 Wave Equation  [49] Integrates ¨ϕ = c22ϕ & similar forms superpoly - exponential
13 PDE / Poisson Equation  [505146] Integrates −∇2ϕ(x) = b(x) and superpoly - exponential
PDEs of similar forms: Dϕ(x) = b(x)
14 QFT Arithmetic  [52] QFT based: + , - , * , mean , weighted sum superpoly - exponential
15 Function Evaluation  [53] (Ex) inverse, exponentiation.. etc varies
for State Loaded data
16 VQE and QAOA  [25] Computes optimisation type problems varies
17 Quantum Annealing  [54] Computes optimization type problems varies

Q/C-/ VQE- QAOA-
** t = n 𝜖.

 [46254055]


 [40].  [56]. . Bell

      1
|ψ⟩ =-√--(|00⟩+ |11⟩).
       2
(29)

( 12) IBMQ. 1/2 . 13 (0.5) |00⟩|11. . .


ent.png Figure 13. 


ent2.png Figure 14. 


5.4

.  [464032555]. 2 . Stokes 1D ( )

2u(x) = p(x) (30)
∇⋅u(x) = 0, (31)

:

A - : u(x) . .

B - : :

  1. : FEM . . Poisson. #13 . FEM #10 (HHL) = Alg #3 + Alg #4 + Alg #7. .  [50].
  2. : #3 (QFT) HHL . .
  3. : # 5 .

C - : .

. Navier-Stokes. DNS FFTW . - FFTW QFT . QFT .

5.5 Fourier

Fourier  [3] Fourier FFTW . . DFT f

       j=∑N−1
F[k] =      f[j]exp(2πi jk-).
        j=0            N
(32)

f [ j] = {f [0], f [1], f [2], f [3]} Fourier F[k] = {F[0], F[1], F[2], F[3]}. Fourier (QFT)

i=N−1       i=N−1
 ∑          ∑
    αi|i⟩ ↦→     βi|i⟩,
 i=0         i=0
(33)
      1  j=∑N−1     (   jk)
βk =-√--     α jexp 2πi-- .
      N   j=0          N
(34)

ωjk = exp(2πijk
N)

          β=∑N−1
|α⟩ ↦→  √1--    ω jk|β⟩.
       N   β=0
(35)

|0,|1,|2,|3⟩ |00,|01,|10,|11.

β0 = 1-
2[α0 + α1 + α2 + α3]
β1 = 1-
2[α0 + iα1 α2 iα3]
β2 = 1
2-[α0 α1 + α2 α3]
β3 = 1
--
2[α0 iα1 α2 + iα3],

UQFT . ω = eiπ∕2

                             (             )
         (||1   1   1   1 )||    ||1  1    1   1||
         |||||1   i  − 1  −i|||||    |||||1  ω   ω2  ω3|||||
UQFT = 1-||||1  −1   1  − 1||||= 1-|||||1  ω2   1  ω2||||| .
       2 |||||1  −i  − 1  i |||||  2 |||||1  ω3  ω2   ω|||||
         (              )    (             )
(36)

QFT 2 14.


QFT.png Figure 15.  QFT 2


9 QFT . Fourier β0 = 0.5741 = 0.0372 = 0.3063 = 0.138 QFT 15.


QFT_out2.png Figure 16.  QFT


QFT β0 = 0.5691 = 0.0372 = 0.3113 = 0.083. QFT DFT.

5.6

. Hamiltonian Schrödinger (  [5758]. . 1023 . . . QC .

Hamiltonian. Hamiltonian Bose-Einstein Schrödinger :

         ℏ2- 2                  ′
ℋBEC = − 2m ∇ + Vext(r)+ Uint(r− r ),
(37)
-∂
∂t|ΨBEC = 1-
iℏ[-ℏ2
2m2 + V ext(r) + Uint(r r)]|ΨBEC (38)
|ΨBEC = eiBEC t|Ψ BEC0. (39)

. QC ( #7)  [3] . Trotter ( Lie-Trotter-Suzuki). P Q Hermitian ( ) t

 lim (eiPt∕NeiQt∕N)N = ei(P+Q)t.
N →∞
(40)

:

ei(P+Q)δt = (eiPδteiQδt) +𝒪(δt2)
                      iPδt∕2iQδt iPδt∕2       3
                   = (e   e   e    )+ 𝒪(δt).
(41)

BEC BEC = i=1ni Hamiltonian Hilbert . [i,j] = 0i, j = 1

e−iℋBECt = e−iℋ1te−iℋ2t...e−iℋnt.
(42)

:

e−iℋBECt = e−iℋ1t∕2e−iℋ2te−iℋ1t∕2 + 𝒪(δt3).
(43)

. QC.

Landau . ODEs PDEs :

∂u1
----
 ∂t + u1 ⋅∇u1 = −∇( p1
---
ρ1), (44)
∂u2-
 ∂t + u2 ⋅∇u2 = −∇(-p2
ρ2)+ -ν
ρ22u 2. (45)

1 2 . .

Madelung BEC . Gross-Pitaevskii

∂          1[   ℏ2  2
∂t|Ψcond⟩ = iℏ − 2m-∇ + Vext(r)+
                                     ]
                    + Uint|⟨Ψcond|Ψcond⟩||Ψcond⟩.
(46)

: (a) BEC T 0 ΨBEC Ψcond. (b) . (c) Uint = Uδ(r r). .  [5758].

. l .

dl
dt = usa + uf,
(47)

usa uf . QC Biot-Savart

        ∮      ′
ui = Γ--  -(l−-l) × dl,
     4π   |l− l′|3
(48)

usa Γ .

Landau . fmf fT. . ( F = fmf + fT:

∂u1-
 ∂t + u1 ⋅∇u1 = −∇(p1-
ρ1)F, (49)
∂u2-
 ∂t + u2 ⋅∇u2 = −∇(p2-
ρ2)+ -ν
ρ22u 2 + ρ1
ρ2F. (50)

6.

. CFD Stokes Gauss-Seidel Jacobi. Ax = B HHL. . x 0. . QC .

A. (VQE). . . VQE . .  [254059].

  1. P |ψp. |ψpP|ψp= p|ψpp . P Hamiltonian Hermitian . Hamiltonian ψ|ℋ|ψ⟩ ≥ 0. pmin ≤ ⟨ψ|ℋ|ψ(0) 2.
  2. QPU CPU .

B. (QAOA): . QAOA . x = x1...xn xi ∈ {0,1} E(x) . E(x) : {0,1}n↦→. QAOA  [604025] α

α =-E(x)≥ α   .
    Emax   opt
(51)

Figure 17. 

: ,|ψ(k),k(parameter),𝜖(tolerance)

: |ψ(k)opt,Eopt

return |ψ(k)opt,Eopt

CLASSICAL_OPTIMISER(|ψ(k)):

|ψ(k)k CPU

return |ψ(k)opt


C. : ( ) DWave. . . Monte Carlo “” 16.

DWave .  [6154] . Navier-Stokes  [62]. NS Ax = B . (QUBO) DWave.


PNLD_Anneal.jpeg Figure 18. 


DWave 5000 . .


PNLD_QCs.jpeg


PNLD_QCs2.jpeg Figure 19.  QCs

7.

(a) (b) QCs . . QCs (QPU) . QPU .

QC. QC . . 17. . Qiskit IBMQ transmon. cbit. .

IBMQ 54 .

  1. QFT: DNS FFT . 54 FFT 254 1016 . DNS .
  2. DNS: 54

    1. 1D: 1016
    2. 2D: 108 ×108
    3. 3D: 105 ×105 ×105

    DNS .

DNS.

8.

QCFD. . QCFD. QCs IBMQ . QC . QC . QCFD . QPU CPU GPU. .

IBM Q IBM Q Experience . IBM IBM Q. Jörg Schumacher Dhawal Buaria Kartik P Iyer .

References

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