Targeting classically intractable molecules with Quantum Computing

With the advent of quantum computing, finding applications for which quantum computers offer an advantage with respect to classical computers is crucial if this technology is to be fruitful. One of the areas where quantum computers are expected to be particularly useful is for the simulation of molecular systems, with applications in drug discovery, materials development, and energy solutions. Even though there already exists an abundance of classical methods for this problem, for a given molecular system there exist no efficient ways of knowing whether these methods will break down or not, as it is known that some regimes cannot be solved efficiently on classical computers. As such, it is of paramount importance to develop efficient protocols that allow to test both this classical simulation complexity, and the quantum simulation complexity, of a given molecular system. Our research will focus on developing these protocols, which will allow for the evaluation of technologically relevant systems and the determination of whether their simulation can be done in a classical computer, or if a quantum computer is necessary.

Faculty Supervisor:

Artur Izmaylov

Student:

Partner:

Zapata Canada

Discipline:

Physics

Sector:

Professional, scientific and technical services

University:

University of Toronto

Program: