Introduction to Quantum Computational Chemistry

This course focused on quantum computational chemistry, demonstrating how quantum computing can be applied to complex many-electron systems and offering practical experience with quantum algorithm simulations in HPC environments.

Topics covered include:

• An introduction to the fundamental concepts of quantum chemistry
• A general overview of the Variational Quantum Eigensolver (VQE), the Adaptive Variational Eigensolver (ADAPT-VQE), measurement optimisation techniques, applications of the Hadamard Test overlap protocol, and the Zero-Noise Extrapolation technique
• Hands-on implementation of various algorithms, with a focus on computing ground electronic state of simple molecules