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 B20: Electrons, Phonons, Electron-Phonon Scattering, and Phononics I
11:30 AM–2:30 PM,
Monday, March 15, 2021
Sponsoring
Units:
DCOMP DMP
Chair: Ivana Savic, Univ Coll Cork
Abstract: B20.00013 : Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene
2:18 PM–2:30 PM
On Demand
Presenter:
Tomas Kamencek
(Institute of Solid State Physics, Graz University of Technology)
Authors:
Tomas Kamencek
(Institute of Solid State Physics, Graz University of Technology)
Sandro Wieser
(Institute of Solid State Physics, Graz University of Technology)
Hirotaka Kojima
(National Institute of Technology Maizuru College)
Natalia Bedoya-Martínez
(Materials Center Leoben)
Johannes P. Dürholt
(Chair of Inorganic Chemistry 2, Ruhr University Bochum)
Rochus Schmid
(Chair of Inorganic Chemistry 2, Ruhr University Bochum)
Egbert Zojer
(Institute of Solid State Physics, Graz University of Technology)
1 J. Chem. Theory Comput. 2020, 16, 4, 2716–2735
2 Phys. Status Solidi B 2013, 250, 1128– 1141
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