Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session F34: Quantum Software and Compilers I - Program Optimizations
11:30 AM–2:30 PM,
Tuesday, March 16, 2021
Sponsoring
Unit:
DQI
Chair: Ali Javadi
Abstract: F34.00007 : Discontinuous Galerkin method with Voronoi partitioning for Quantum Simulation of Chemistry*
12:42 PM–12:54 PM
Live
Presenter:
Fabian Faulstich
(University of California, Berkeley)
Authors:
Fabian Faulstich
(University of California, Berkeley)
Xiaojie Wu
(University of California, Berkeley)
Lin Lin
(University of California, Berkeley)
We extend this approach to be applicable to molecular and crystalline systems of arbitrary geometry [2], using the flexibility of the planewave dual basis set and combining the DG procedure with a general partitioning strategy based on the Voronoi decomposition.
[1] New J. Phys. 22, 093015, 2020
[2] arXiv:2011.00367
*
Department of Energy under Grant No. DE-SC0017867,
National Science Foundation under the Quantum Leap Challenge Institutes,
Google Quantum Research Award,
Air Force Office of Scientific Research under award number FA9550-18-1-0095.
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