This post is written as part of the Q# Advent Calendar 2021. Happy Holidays! If you’ve taken a stab at quantum programming, you’ll probably have heard of “hybrid quantum-classical computing”. Not to be confused with hybrid cloud or hybrid computers, hybrid quantum-classical computing is a popular topic among quantum computing aficionados and typic...

Quantum computers will be able to reveal the exact quantum nature of chemical systems exponentially faster than classical computers. In this post, we show how to use Microsoft's Q# libraries and developer tools to simulate a caffeine molecule using two quantum algorithms: Quantum Phase Estimation and Variational Quantum Eigensolver.