Professor Francesco Evangelista has been elected as a member of the elite International Academy of Quantum Molecular Sciences.
Photo by Jessica Lily Photography.
The academy, which is composed of top researchers from around the world and includes several Nobel Prize winners, previously awarded the theoretical chemist the IAQMS Medal in 2020 in recognition of his pioneering research developing original computational methods to study molecules with strong electron correlation.
“We do not yet have the ability to study that as easily as we would wish,” Evangelista says. “It’s like wanting to send someone to the moon, but you have to send little rockets into space first. We are making progress, but we do not have a landing on the moon just yet.”
As a theorist, Evangelista derives algorithms that model microscopic behaviors of atomic nuclei and electrons. He then develops software to feed the algorithms into computers and run simulations.
His most recent research focuses on finding ways to use quantum computers — powerful devices that follow the same rules of quantum physics as nuclei and electrons — to solve problems much faster.
Quicker molecular simulations mean increased energy in the hands of chemists to solve problems ranging from energy science to drug discovery.
In 2024, the U.S. Department of Energy awarded Evangelista $2.4 million to lead research into the development of algorithms and software to run the first generation of quantum computers.
In 2023, he co-authored a paper published in PRX Quantum that was the first demonstration of using a quantum computer to model the intermediate steps of a typical chemical reaction, in which the atoms rearrange to form a new structure.
Evangelista will share his findings and continued research during an address at the International Congress of Quantum Chemistry in California next spring. More important than the recognition as an expert in the complex field, he says, is the chance to make it more accessible.
He recently touted the potential of quantum computers to transform chemistry on a national podcast from the American Chemical Society. He is also creating free online tutorials with Emory College junior Emily Huang for anyone interested in introductory lessons.
Huang, a chemistry and math double major, joined Evangelista’s lab her first year on campus, examining the computational results of a series of compounds for use in organic chemistry.
Working on the tutorials helps her ensure that she has a good understanding of the basics in the field. She relied on that solid foundation while conducting research at a theoretical chemistry lab at Rice University during the summer.
“A lot of what we are working on is still in development, so you really need to have a good understanding of the fundamentals to build up enough background for new research in the field,” Huang says.
The United Nations declared 2025 the International Year of Quantum Science and Technology in recognition of the progress in a field that intersects math, physics, chemistry and computer science with practical applications.
Evangelista hopes his efforts will draw the attention of more students who appreciate the interdisciplinary aspect of quantum chemistry and the chance to make their mark in the emerging field.
“Quantum is still fairly unexplored and is in its early stages,” he says. “It’s exciting to think of the possibilities we can unlock as the field expands.”