Bulletin of the American Physical Society
APS March Meeting 2017
Volume 62, Number 4
Monday–Friday, March 13–17, 2017; New Orleans, Louisiana
Session L1: Van der Waals Bonding in Advanced Materials II
11:15 AM–1:51 PM,
Wednesday, March 15, 2017
Room: 260
Sponsoring
Units:
DMP DCOMP
Chair: Santosh KC, Oak Ridge National Laboratory
Abstract ID: BAPS.2017.MAR.L1.9
Abstract: L1.00009 : First-Principles Molecular Crystal Structure Prediction: The Importance of Collective van der Waals Interactions and Free Energies
1:15 PM–1:27 PM
Preview Abstract Abstract
Authors:
Johannes Hoja
(Physics and Materials Science Research Unit, University of Luxembourg)
Hsin-Yu Ko
(Department of Chemistry, Princeton University)
Roberto Car
(Department of Chemistry, Princeton University)
Robert A. DiStasio Jr.
(Department of Chemistry and Chemical Biology, Cornell University)
Alexandre Tkatchenko
(Physics and Materials Science Research Unit, University of Luxembourg)
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2017.MAR.L1.9
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