The 38th Robert S. Mulliken Lecture: Molecular Electronic Structure at the Nexus of Classical and Quantum Computing

Portrait of Prof. Francesco Evangelista, guest speaker.
Date & Time:
Location:
iSTEM Building 2, Room 1218
Special Information:
Presented by the University of Georgia Department of Chemistry & the Center for Computational Quantum Chemistry

While significant progress has been made in classical quantum chemistry methods since Robert Mulliken's time, modeling molecular processes involving highly entangled electronic states remains a grand computational challenge. Quantum computers offer a promising solution, with their ability to efficiently represent and manipulate exponentially complex entangled quantum states using a linear number of qubits. In this talk, I will discuss several ways quantum computation may be integrated with classical quantum chemistry methods to enable the modeling of strongly entangled states. I will introduce quantum unitary downfolding approaches and illustrate how they help leverage existing quantum hardware to perform accurate quantum computations with significantly smaller quantum measurement costs. I will also discuss the projective quantum eigensolver, a novel quantum algorithm for trial-state optimization on near-term noisy quantum computers that is a competitive alternative to variational quantum algorithms. These new techniques in combination with more accurate quantum hardware with hundreds of qubits will help establish a systematic path to predictive simulations of chemical reactions, excited state dynamics, and complex catalytic processes.

Type of Event:
Prof. Francesco Evangelista
Department:
Professor of Chemistry
Emory University
Learn more about Prof. Evangelista and his work http://www.evangelistalab.org/