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Team Name:
The Quantocks
Project Description:
The aim of this project is to implement the algorithm described in this paper. This paper provides an algorithms for a fault tolerant quantum computer to evaluate molecular Vibrionic spectra. The full algorithm takes into account the anharmonicity of the potential energy surfaces (PES) of the different vibrational modes of the molecule. This is a classically intractable task, which motivates the study.
The project was implemented using IBM's qiskit to construct the circuit shown in the first figure in the above paper. Unfortunately the complications with constructing the hamiltonian for the second PES (in order to create the controlled unitary operators in the circuit digram in the paper) proved too much in this short time period. I am confident in the structure of the code presented (for the zero temperature case), however there is in error in the nuts and bolts of the linear algebra which throws up an error in the maths.
Thank you to the organisers of the hackathon for setting this challenge, it has allowed me to improve my software development skills. Thanks also to the authors of the referenced paper, your algorithm proved a decent challenge. I hope to fix these issues and get the code working with more time. When I do so I will update the repository.
Source code:
https://github.com/alexdzm/Qhack_open
Which challenges/prizes would you like to submit your project for?
IBM Qiskit Challenge Quantum Chemistry Challenge Simulation Challenge