Quantum chemistry

Cambridge University Press eBooks, pp. 29–50

Abstract

This chapter covers applications of quantum computing in the area of quantum chemistry, where the goal is to predict the physical properties and behaviors of atoms, molecules, and materials. We discuss algorithms for simulating electrons in molecules and materials, including both static properties such as ground state energies and dynamic properties. We also discuss algorithms for simulating static and dynamic aspects of vibrations in molecules and materials.

Authors 4

1. Sam McArdle
   Affiliation as printed

   AWS Center for Quantum Computing

2. Connor T. Hann
   Affiliation as printed

   AWS Center for Quantum Computing

3. Aleksander Kubica

   Yale University

   Affiliation as printed

   Yale University

4. Fernando G. S. L. Brandão
   Affiliation as printed

   AWS Center for Quantum Computing