Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session S43: Computational Design and Discovery of Novel Materials IV: 2D and Layered Materials
11:15 AM–1:51 PM,
Thursday, March 5, 2020
Room: 702
Sponsoring
Units:
DCOMP DMP
Chair: Kai-Ming Ho, Iowa State University
Abstract: S43.00001 : Computational Discovery at the Interface of Chemistry and Materials: 1D Carbon Nanothreads and 2D Polar Metals*
Presenter:
Vincent Crespi
(Pennsylvania State University)
Authors:
Vincent Crespi
(Pennsylvania State University)
Yuanxi Wang
(Pennsylvania State University)
Bo Chen
(Pennsylvania State University)
Tao Wang
(Pennsylvania State University)
Nadire Nayir
(Pennsylvania State University)
Boyang Zheng
(Pennsylvania State University)
Adri C.T. van Duin
(Pennsylvania State University)
Roald Hoffmann
(Cornell)
*This work was supported by the National Science Foundation, under the Centers for Chemical Innovation (CHE-1832471), Materials Research Science and Engineering Center (DMR-1420620), and Materials Innovation Platform (DMR-1539916) programs.
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