Day 1: Preliminary Results Presentation
Progress Review:
- Topics:
- Students present their preliminary results from quantum simulations, focusing on:
- Accuracy of molecular energy calculations using VQE for molecules like H+ 3, OH−, HF, and BH31.
- Comparison with classical methods like Full Configuration Interaction (FCI) and Unrestricted Hartree-Fock (UHF) to validate the quantum results1.
- Feedback:
- Discussion on the accuracy of the quantum simulations, potential hardware limitations, and strategies for further optimization.
Technical Support:
- Workshops on Quantum Error Correction and Mitigation:
- Introduction to error suppression techniques like spin echo and dynamic decoupling9.
- Overview of error mitigation methods like probabilistic error cancellation and zero-noise extrapolation9.
Peer Review:
- Group Discussions:
- Review of each other's quantum simulation results, focusing on the accuracy and potential improvements.
Resources:
- IBM Quantum Experience for access to real quantum hardware1.
- Qiskit for quantum circuit design and simulation1.
Mentor Guidance:
- Industry Insights: Regular meetings with mentors from the pharmaceutical industry to discuss practical applications, industry needs, and potential challenges in implementing quantum computing in drug discovery.
Day 2: Optimization Strategies
Progress Review:
- Topics:
- Presentation of strategies for optimizing quantum circuits to reduce errors and improve efficiency.
- Discussion on the use of quantum circuit optimization techniques like gate cancellation, gate fusion, and gate reordering3.
- Feedback:
- Feedback on the effectiveness of the optimization strategies, potential for further improvements, and alignment with real-world drug discovery processes.
Technical Support:
- Workshops on Quantum Circuit Optimization:
- Introduction to analytical algorithms, heuristic strategies, and machine learning-based methods for circuit optimization21.
- Hands-on session to apply these techniques to the students' quantum circuits.
Peer Review: