Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
https://github.com/yezhuoyang/nmrpulse
Simulation of all NMR quantum gates and pulses
https://github.com/yezhuoyang/nmrpulse
nmr-spectroscopy quantum-computing
Last synced: 19 days ago
JSON representation
Simulation of all NMR quantum gates and pulses
- Host: GitHub
- URL: https://github.com/yezhuoyang/nmrpulse
- Owner: yezhuoyang
- License: mit
- Created: 2024-02-10T22:16:38.000Z (11 months ago)
- Default Branch: main
- Last Pushed: 2024-05-16T21:10:17.000Z (7 months ago)
- Last Synced: 2024-10-16T07:56:29.598Z (2 months ago)
- Topics: nmr-spectroscopy, quantum-computing
- Language: Jupyter Notebook
- Homepage:
- Size: 58.8 MB
- Stars: 1
- Watchers: 1
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
# NMRPulse
Simulation of all NMR quantum gates and pulses.
I want to highlight the following property of my simulator:
__1. Close to reality simulation and visualization__
The proton spectrum and carbon spectrum are shown in real ppm scale.
__2. Handy interface and many examples__
User can easily understand and call the interface for simulation.
Many examples are provided in example.py for users to learn and get familiar.
__3. Correctness guaranteed by testcases__
All pulses sequence and evolution function has passed tests cases in test/ folder
__4. Print Spinsolve Pulse sequences for Pulse Debug__
User can print the real pulse sequence directly for further check and debug in Spinsolve machine
__4. Four lines of code for Dj algorithm and Grover algorithm__
User only need four lines of code to calculate the pulse level DJ algorithm and Grover algorithm
# Example of Chloroform samples
## Add a 45 degree pulse
### Code
```python
def pulse_length_change():
'''
Initialize the
'''
NMRsample = chloroform()
'''
Set the initial density matrix
'''
NMRsample.set_density(np.array([[0.4, 0, 0, 0],
[0, 0.4, 0, 0],
[0, 0, 0.1, 0],
[0, 0, 0, 0.1]], dtype=complex))
'''
Add a single pulse on proton.
'''
NMRsample.add_pulse(pulseSingle(0, 0.5 * pl90H, wH))
'''
Evolve the density matrix with all pulses
'''
NMRsample.evolve_all_pulse()
'''
Read the data signal in the time domain
'''
NMRsample.read_proton_time()
'''
Simulate what is shown on the screen
'''
NMRsample.show_proton_fid_real(maxtime=0.1, store=True, path="Figure/45pulsesFID.png")
'''
Read the data signal in the frequency
'''
NMRsample.read_proton_spectrum()
'''
Simulate what is shown on the screen
'''
NMRsample.show_proton_spectrum_real(-5, 15, store=True,
path="Figure/45pulsespec.png")
```
### Result of proton FID
### Result of proton spectrum
## Proton pulse length calibration
### Code
```python
def pulse_length_calib_proton():
pulses_length_list = np.linspace(0, 1, 20)
integra_list = []
NMRsample = chloroform()
for pulse in pulses_length_list:
NMRsample.set_density(np.array([[0.5, 0, 0, 0],
[0, 0.3, 0, 0],
[0, 0, -0.3, 0],
[0, 0, 0, -0.5]], dtype=complex))
NMRsample.set_pulses([])
'''
The first 1/2 pi pulse is added to cancel
the sigmax in the measurement operator.
'''
NMRsample.add_pulse(pulseSingle(0, 0.5 * pl90H, wH))
'''
This is the actual varying Ix pulse we add in the pulse
length calibration
'''
NMRsample.add_pulse(pulseSingle(0, pulse * pl90H, wH))
NMRsample.evolve_all_pulse()
NMRsample.read_proton_time()
NMRsample.read_proton_spectrum(normalize=False)
integra_list.append(NMRsample.integral_proton_spectrum_real())
pulses_length_list = [2 * x * pl90H * 10 ** 6 for x in pulses_length_list]
plt.scatter(pulses_length_list, integra_list, label="Integral value of proton spectrum")
plt.axvline(x=pl90H*10**6, color="red", linestyle="--", label="Measured 90-x pulse for proton")
plt.xlabel("Pulse length Time/ microsecond")
plt.ylabel("Integral value")
plt.legend(fontsize=8)
plt.savefig("Figure/protoncalib.png")
plt.show()
```
### Result of proton pulse length calibration
## Carbon pulse length calibration
### Code
```python
def pulse_length_calib_carbon():
pulses_length_list = np.linspace(0, 1, 20)
integra_list = []
NMRsample = chloroform()
for pulse in pulses_length_list:
NMRsample.set_density(np.array([[0.5, 0, 0, 0],
[0, 0.3, 0, 0],
[0, 0, -0.3, 0],
[0, 0, 0, -0.5]], dtype=complex))
NMRsample.set_pulses([])
'''
The first 1/2 pi pulse is added to cancel
the sigmax in the measurement operator.
'''
NMRsample.add_pulse(pulseSingle(0, 0.5 * pl90C, wC))
'''
This is the actual varying Ix pulse we add in the pulse
length calibration
'''
NMRsample.add_pulse(pulseSingle(0, pulse * pl90C, wC))
NMRsample.evolve_all_pulse()
NMRsample.read_carbon_time()
NMRsample.read_carbon_spectrum(normalize=False)
integra_list.append(NMRsample.integral_carbon_spectrum_real())
pulses_length_list = [2 * x * pl90C * 10 ** 6 for x in pulses_length_list]
plt.scatter(pulses_length_list, integra_list, label="Integral value of carbon spectrum")
plt.axvline(x=pl90C*10**6, color="red", linestyle="--", label="Measured 90-x pulse for carbon")
plt.xlabel("Pulse length Time/ microsecond")
plt.ylabel("Integral value")
plt.legend(fontsize=8)
plt.savefig("Figure/carboncalib.png")
plt.show()
```
### Result of carbon pulse length calibration
## Exact CNOT gate matrix
### Code
```python
def exact_CNOT():
'''
Initialize the chloroform instance
'''
NMRsample = chloroform()
'''
Set the initial density matrix
'''
NMRsample.set_density(np.array([[0.5, 0, 0, 0],
[0, 0.3, 0, 0],
[0, 0, -0.3, 0],
[0, 0, 0, -0.5]], dtype=complex))
CNOTmatrix = np.array([[1, 0, 0, 0], [0, 1, 0, 0], [0, 0, 0, 1], [0, 0, 1, 0]], dtype=complex)
'''
Directly evolve the density matrix by CNOT matrix
'''
NMRsample.evolve_density(CNOTmatrix)
'''
Read the data signal in the time domain
'''
NMRsample.read_proton_time()
NMRsample.read_carbon_time()
'''
Read the spectrum
'''
NMRsample.read_proton_spectrum()
NMRsample.read_carbon_spectrum()
'''
Simulate what is shown on the screen
'''
NMRsample.show_proton_spectrum_real(-5, 15, store=True,
path="Figure/CNOTExactproton.png")
NMRsample.show_carbon_spectrum_real(74, 80, store=True,
path="Figure/CNOTExactcarbon.png")
```
### Result of proton spectrum after CNOT
### Result of carbon spectrum after CNOT
## Approximate CNOT gate controlled by proton
### Code
```python
def approx_CNOT():
'''
Initialize the chloroform instance
'''
NMRsample = chloroform()
'''
Set the initial density matrix
'''
NMRsample.set_density(np.array([[0.5, 0, 0, 0],
[0, 0.3, 0, 0],
[0, 0, -0.3, 0],
[0, 0, 0, -0.5]], dtype=complex))
'''
Add approximate CNOT pulse sequence
(pi/2)Ix2---(2Iz1Iz2)---(pi/2)Iy2
Recall that channel 0 for +x, 1 for +y, 2 for -x, 3 for -y
'''
NMRsample.add_pulse(pulseSingle(0, 0.5 * pl90C, wC))
NMRsample.add_pulse(delayTime(0.5 / Jfreq))
NMRsample.add_pulse(pulseSingle(1, 0.5 * pl90C, wC))
'''
Evolve the density matrix with all pulses
'''
NMRsample.evolve_all_pulse()
'''
Print the unitary of all pulses:
'''
print(NMRsample.get_pulse_unitary())
'''
Read the data signal in the time domain
'''
NMRsample.read_proton_time()
NMRsample.read_carbon_time()
'''
Read the spectrum
'''
NMRsample.read_proton_spectrum()
NMRsample.read_carbon_spectrum()
'''
Simulate what is shown on the screen
'''
NMRsample.show_proton_spectrum_real(-5, 15, store=True,
path="Figure/CNOTapproxproton.png")
NMRsample.show_carbon_spectrum_real(74, 80, store=True,
path="Figure/CNOTapproxcarbon.png")
```
### Result of proton spectrum after approximate CNOT
### Result of carbon spectrum after approximate CNOT
## Exact CNOT gate controlled by proton
### Code
```python
def exact_CNOT_pulse_Hcontrol():
'''
Initialize the chloroform instance
'''
NMRsample = chloroform()
'''
Set the initial density matrix
'''
NMRsample.set_density(np.array([[0.5, 0, 0, 0],
[0, 0.3, 0, 0],
[0, 0, -0.3, 0],
[0, 0, 0, -0.5]], dtype=complex))
'''
Add pulse sequence for approximate h gate on carbon
'''
NMRsample.add_pulse(pulseSingle(1, 1 / 4 * pl90C, wC))
NMRsample.add_pulse(pulseSingle(0, 1 * pl90C, wC))
NMRsample.add_pulse(pulseSingle(3, 1 / 4 * pl90C, wC))
'''
Add pulse sequence for exact CZ gate
'''
NMRsample.add_pulse(pulseSingle(2, 1 / 2 * pl90H, wH))
NMRsample.add_pulse(pulseSingle(1, 1 / 2 * pl90H, wH))
NMRsample.add_pulse(pulseSingle(0, 1 / 2 * pl90H, wH))
NMRsample.add_pulse(pulseSingle(2, 1 / 2 * pl90C, wC))
NMRsample.add_pulse(pulseSingle(1, 1 / 2 * pl90C, wC))
NMRsample.add_pulse(pulseSingle(0, 1 / 2 * pl90C, wC))
NMRsample.add_pulse(delayTime((4 - 0.5) / Jfreq))
'''
Add pulse sequence for approximate h gate on carbon
'''
NMRsample.add_pulse(pulseSingle(1, 1 / 4 * pl90C, wC))
NMRsample.add_pulse(pulseSingle(0, 1 * pl90C, wC))
NMRsample.add_pulse(pulseSingle(3, 1 / 4 * pl90C, wC))
'''
Evolve the density matrix with all pulses
'''
NMRsample.evolve_all_pulse()
'''
Print the unitary of all pulses:
'''
print(NMRsample.get_pulse_unitary())
'''
Read the data signal in the time domain
'''
NMRsample.read_proton_time()
NMRsample.read_carbon_time()
'''
Read the spectrum
'''
NMRsample.read_proton_spectrum()
NMRsample.read_carbon_spectrum()
'''
Simulate what is shown on the screen
'''
NMRsample.show_proton_spectrum_real(-5, 15, store=True,
path="Figure/CNOTExactproton-Hcontrol.png")
NMRsample.show_carbon_spectrum_real(74, 80, store=True,
path="Figure/CNOTExactcarbon-Hcontrol.png")
```
### Result of proton spectrum after approximate CNOT
### Result of carbon spectrum after approximate CNOT
## Deutsch jozsa algorithm
### Code
```python
def permute_DJ(uf):
DJ = Djalgorithm()
DJ.set_function(uf)
DJ.construct_circuit()
DJ.calculate_result_circuit()
DJ.plot_measure_all()
'''
First, calculate the result without permutation
'''
DJ.construct_pulse()
DJ.calculate_result_pulse()
DJ.show_spectrum("Figure/DJP0f{}{}".format(uf[0], uf[1]),
title="Result of DJ algorithm after P0 for f{}{}".format(uf[0], uf[1]))
density0 = DJ.get_final_density()
'''
Reinitialize the sample, add a P1 permutation:
'''
DJ.init_sample()
DJ.set_prem_value(1)
DJ.construct_pulse()
DJ.calculate_result_pulse()
DJ.show_spectrum("Figure/DJP1f{}{}".format(uf[0], uf[1]),
title="Result of DJ algorithm after P1 for f{}{}".format(uf[0], uf[1]))
density1 = DJ.get_final_density()
'''
Reinitialize the sample, add a P2 permutation:
'''
DJ.init_sample()
DJ.set_prem_value(2)
DJ.construct_pulse()
DJ.calculate_result_pulse()
DJ.show_spectrum("Figure/DJP2f{}{}".format(uf[0], uf[1]),
title="Result of DJ algorithm after P2 for f{}{}".format(uf[0], uf[1]))
density2 = DJ.get_final_density()
final_density = 1 / 3 * (density0 + density1 + density2)
pseudo_sample = chloroform()
pseudo_sample.set_density(final_density)
pseudo_sample.read_proton_time()
pseudo_sample.read_carbon_time()
'''
Read the spectrum
'''
pseudo_sample.read_proton_spectrum()
pseudo_sample.read_carbon_spectrum()
'''
Simulate what is shown on the screen
'''
pseudo_sample.show_proton_spectrum_real(-5, 15, store=True,
path="Figure/DJproton%d%d.png" % (uf[0], uf[1]))
pseudo_sample.show_carbon_spectrum_real(74, 80, store=True,
path="Figure/DJcarbon%d%d.png" % (uf[0], uf[1]))
```
## Grover's algorithm
### Code
```python
def permute_grover(db):
grover = Grover()
grover.set_function(db)
grover.construct_circuit()
grover.calculate_result_circuit()
'''
First, calculate the result without permutation
'''
grover.construct_pulse()
grover.calculate_result_pulse()
grover.show_spectrum("Figure/GroverP0f{}{}".format(db[0], db[1]),
title="Result of Grover algorithm after P0 for f{}{}".format(db[0], db[1]))
density0 = grover.get_final_density()
'''
Reinitialize the sample, add a P1 permutation:
'''
grover.init_sample()
grover.set_prem_value(1)
grover.construct_pulse()
grover.calculate_result_pulse()
grover.show_spectrum("Figure/GroverP1f{}{}".format(db[0], db[1]),
title="Result of Grover algorithm after P1 for f{}{}".format(db[0], db[1]))
density1 = grover.get_final_density()
'''
Reinitialize the sample, add a P2 permutation:
'''
grover.init_sample()
grover.set_prem_value(2)
grover.construct_pulse()
grover.calculate_result_pulse()
grover.show_spectrum("Figure/GroverP2f{}{}".format(db[0], db[1]),
title="Result of Grover algorithm after P2 for f{}{}".format(db[0], db[1]))
density2 = grover.get_final_density()
final_density = 1 / 3 * (density0 + density1 + density2)
pseudo_sample = chloroform()
pseudo_sample.set_density(final_density)
pseudo_sample.read_proton_time()
pseudo_sample.read_carbon_time()
'''
Read the spectrum
'''
pseudo_sample.read_proton_spectrum()
pseudo_sample.read_carbon_spectrum()
'''
Simulate what is shown on the screen
'''
pseudo_sample.show_proton_spectrum_real(-5, 15, store=True,
path="Figure/Groverproton%d%d.png" % (db[0], db[1]))
pseudo_sample.show_carbon_spectrum_real(74, 80, store=True,
path="Figure/Grovercarbon%d%d.png" % (db[0], db[1]))
```
## Print pulse sequences:
```python
def DJ_print_pulse(uf):
DJ = Djalgorithm()
'''
Initialize the input function
f1:uf=[0,0]
f2:uf=[0,1]
f3:uf=[1,0]
f4:uf=[1,1]
'''
DJ.set_function(uf)
DJ.construct_pulse()
'''
Print the real Spinsolve pulses
'''
DJ.print_pulses()
if __name__ == "__main__":
DJ_print_pulse([0,0])
```