Back to the Future: A roadmap for quantum simulation from vintage quantum chemistry

TL;DR

This paper explores the potential of quantum computing for quantum chemistry by examining the historical development of classical electronic structure calculations and outlining future directions.

Contribution

It provides a historical perspective and a strategic roadmap for advancing quantum simulation techniques in quantum chemistry.

Findings

Quantum computing offers promising avenues for electronic structure calculations.

Historical analysis informs future quantum simulation strategies.

The paper outlines key challenges and opportunities in quantum chemistry simulations.

Abstract

A discussion of the prospects for quantum computation for quantum chemistry from the point of view of the history of classical calculations of electronic structure.