Quantum Simulation of Preferred Tautomeric State Prediction

Repository for

Shee, Y., Yeh, TL., Hsiao, JY. et al. Quantum simulation of preferred tautomeric state prediction. npj Quantum Inf 9, 102 (2023).

Optimized structures are provided in txt file.

An example of running the simulation is in the ipynb file.

Qiskit Versions

Qiskit Terra: 0.17.2
Qiskit Aer: 0.8.2
Qiskit Ignis: 0.6.0
Qiskit IBMQ Provider: 0.12.3
Qiskit Aqua: 0.9.1
Qiskit: 0.25.4

Please also refer to qubit-efficient-encoding repository