“A ‘classical’ chemist is focused on getting a chemical reaction and creating new molecules,” explains Evangelista, assistant professor at Emory University. “As theoretical chemists, we want to understand how chemistry really works — how all the atoms involved interact with one another during a reaction.”
The Quantum Information Science program seeks to lay the foundation for future innovation in the realm of computing and information processing. The awards, made in conjunction with the White House Summit on Advancing American Leadership in Quantum Information Science, are led by scientists at 28 higher learning institutes and 9 DOE national laboratories. Research funded by the awards will span a range of topics from the new generation of quantum computers to using quantum computing for understanding cosmic phenomena.
The abstract for Dr. Evangelista’s “Quantum Chemistry for Quantum Computers” appears below:
“Over the past fifty years, quantum chemistry has had a transformative impact on chemistry and materials science by enabling the computational prediction of properties and reactivity of molecules and materials. Two factors have made this success possible: the development of efficient theories of electronic structure and the steady growth of computing power. Nevertheless, quantum chemistry methods are currently unable to tackle strongly correlated molecules and materials, owing to the exponential complexity of the fundamental physics of these systems. Quantum computers manipulate information using quantum mechanical principles and offer a solution to this problem. With the rapid development of quantum computing hardware and algorithms, there is a realistic expectation that quantum computers will outperform their classical counterparts within the next decade. However, the first generation of quantum computers is unlikely to have a transformative impact on chemistry and materials science unless their power is leveraged by combining them with new algorithms specifically designed to take advantage of quantum hardware. The objective of this research is to create the next generation of quantum chemistry methods for strongly correlated molecules and solids that will run on the first generation of quantum computers. This research will also develop standard benchmarks for testing the accuracy and computing power of new quantum hardware and will validate prototypes of quantum computers in collaborations with industry partners. More generally, this project paves the way to applications of quantum computers to study challenging strongly correlated systems critical to the mission of the DOE such as transition metal catalysts, high-temperature superconductors, and novel materials that are beyond the realm of classical simulation.”
Congratulations, Dr. Evangelista!
Check out the video to learn more about the amazing research happening in the Evangelista lab!
Emory researchers–including Craig Hill, Tim Lian, and Jamal Musaev— recently received a $900,000 grant from the DOE’s Office of Science to develop a more robust and efficient way to convert solar energy into fuel.