Bulletin of the American Physical Society
APS March Meeting 2018
Volume 63, Number 1
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session S02: Developments of DFT: from Quantum to Statistical Mechanics (VI)
11:15 AM–2:15 PM,
Thursday, March 8, 2018
LACC
Room: 150B
Sponsoring
Units:
DCP DCOMP GSNP
Chair: Neepa Maitra, Hunter Coll
Abstract ID: BAPS.2018.MAR.S02.2
Abstract: S02.00002 : Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids*
11:51 AM–12:03 PM
Presenter:
Beatriz Gonzalez del Rio
(Department of Mechanical and Aerospace Engineering, Princeton University)
Authors:
Beatriz Gonzalez del Rio
(Department of Mechanical and Aerospace Engineering, Princeton University)
Johannes Dieterich
(Department of Mechanical and Aerospace Engineering, Princeton University)
Emily Carter
(School of Engineering and Applied Science, Princeton University)
1 B. G. Del Rio et al., J. Chem. Theory Comput. 13, 3684 (2017).
2 K. Lejaeghere et al., Science 351, 6280 (2016).
*This work was supported by the Office of Naval Research grant N00014-15-1-2218 to E. A. C.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.MAR.S02.2
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