Advancing initial state preparation techniques for ground state energy calculation in periodic solids with the quantum phase estimation algorithm

To design and produce better materials for construction and manufacturing, as well as discover new and improved drugs, scientists need to be able to predict properties of molecules or crystalline solids – ideally, before they are made in the lab. At the atomic level, these properties are governed by quantum mechanics, which makes the prediction process difficult. A quantum computer is a new type of scientific device that is itself built on quantum-mechanical principles, which could in principle allow it to be faster and more efficient at such material property predictions. However, to take advantage of the speed-up, new algorithms need to be created for quantum computers that are different from the classical algorithms that physicists and chemists have been using so far. Quantum phase estimation (QPE) is one of these algorithms, and a team at Xanadu recently applied a novel scheme incorporating QPE to predicting the properties of cathodes of lithium-ion batteries. To further increase the efficiency of this algorithm, this project will focus on looking for improved initial guesses – based on the studies of such initial guesses from classical algorithms – to supply to the QPE algorithm.

Faculty Supervisor:

Mona Berciu

Student:

Partner:

Xanadu

Discipline:

Physics

Sector:

Information and cultural industries; Manufacturing; Professional, scientific and technical services

University:

The University of British Columbia

Program: