Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session G17: Density Functional Theory in Chemical Physics III
11:30 AM–2:30 PM,
Tuesday, March 7, 2023
Room: Room 209
Sponsoring
Unit:
DCP
Chair: Xuecheng Shao, Rutgers University - Newark
Abstract: G17.00009 : Mixing Stochastic-Deterministic Density Functional Theory In The PAW Formalism To Tackle Extreme Conditions Physics*
1:54 PM–2:06 PM
Presenter:
Vidushi Sharma
(Los Alamos National Laboratory)
Authors:
Vidushi Sharma
(Los Alamos National Laboratory)
Alexander J White
(Los Alamos National Laboratory)
Lee A Collins
(Los Alamos Natl Lab)
LA-UR-22-31081
[1] White, A.J., Collins, L.A., "Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma,'' Phys. Rev. Lett., 2020, 125, 055002.
*This work was supported by the U.S. Department of Energy through the Los Alamos National Laboratory (LANL). Research presented here was supported by the Laboratory Directed Research and Development program of LANL, under Project Number 20210233ER, and Science Campaign 4. This research used computing resources provided by the LANL Institutional Computing and Advanced Scientific Computing programs. Los Alamos National Laboratory is operated by Triad National Security, LLC, for the National Nuclear Security Administration of U.S. Department of Energy (Contract No. 89233218CNA000001).
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