Introduction to Quantum Chemistry

Explore the fundamentals of quantum chemistry in this comprehensive lecture from the Quantum Wave in Computing Boot Camp. Delve into electronic structure problems, learn about creation and annihilation operators, and understand Hartree Fock and configuration interaction methods. Discover how quantum chemistry can be applied on quantum computers, including fermion-qubit mappings, variational quantum eigensolver, and quantum phase estimation. Gain insights into adiabatic state preparation and Hamiltonian simulation techniques. Presented by Bryan O'Gorman from UC Berkeley and NASA Ames, this talk provides a solid foundation for understanding the intersection of quantum mechanics and computational chemistry.

Syllabus

Intro
Model
Electronic structure problem
Example: state of 2 electrons
Example: state of n = 2 electrons, N = 4 orbitals
Creation and annihilation operators (cont.)
Hamiltonian in Occupation basis
Hartree Fock
Configuration interaction
Selective methods
Quantum chemistry on a quantum computer
Fermion-qubit mappings: Jordan-Wigner
Variational quantum eigensolver
Quantum Phase Estimation
Adiabatic State Preparation
Hamiltonian Simulation
Conclusion