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Special Chemical Physics Seminar: Dr. Joonho Lee

Tuesday, January 18, 2022
4:00pm to 5:00pm
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Noyes 147 (J. Holmes Sturdivant Lecture Hall)
Challenging Problems in Quantum Chemistry: How to Diagnose Them and How to Tackle Them
Dr. Joonho Lee, Postdoctoral Research Fellow, Columbia University,

Dr. Lee will be speaking on "Challenging Problems in Quantum Chemistry: How to Diagnose Them and How to Tackle Them."

Quantum chemistry has become an indispensable tool in revealing the microscopic details of molecules and materials such as barrier heights, interaction energies, and correlation functions. The nature of electronic correlation is sometimes controversial, obscuring the optimal choice of quantum chemistry methods with minimal computational effort and the desired accuracy. First, I will discuss a computational framework that addresses this question using regularized perturbation theory. Second, I will also discuss several challenging problems beyond the scope of such perturbation theory. I will argue that these problems can be tackled by methods based on auxiliary-field quantum Monte Carlo. Lastly, I will present my latest development of a new quantum-classical hybrid algorithm in this context, which represents the largest quantum computation of chemical systems on a quantum computer to date.

Zoom Link: https://caltech.zoom.us/j/88015203109?pwd=VXpRcTdGa1ROV2pUcTZDeWJORU42UT09

Zoom Meeting ID: 880 1520 3109


For more information, please contact Cindy Kim by email at [email protected].