Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session B55: Physical Properties of 2D Materials and Superlattices
11:30 AM–2:18 PM,
Monday, March 14, 2022
Room: Hyatt Regency Hotel -Adler
Sponsoring
Unit:
DCMP
Abstract: B55.00005 : Computational Design of Moiré Assemblies aided by Artificial Intelligence*
12:18 PM–12:30 PM
Presenter:
Gabriel R Schleder
(Harvard University)
Authors:
Gabriel R Schleder
(Harvard University)
Stephen T Carr
(Brown University)
Georgios Tritsaris
(Harvard University)
*The authors acknowledge Efthimios Kaxiras and Pavlos Protopapas at Harvard University for stimulating discussions. Electronic structure calculations were performed on XSEDE, supported by NSF Grant No. ACI-1548562. Models were trained on the Cannon cluster, supported by the FAS Division of Science Research Computing Group at Harvard University. We relied on computational resources of NERSC, a DOE facility operated under Contract No. DE-AC02-05CH11231. This work was supported in part by DOE Office of Science (Basic Energy Sciences; BES) under Award No. DE-SC0019300 by NSF Grant Nos. OIA-1921199 and DMR-1231319 (Science and Technology Center on Integrated Quantum Materials, CIQM), and by the São Paulo Research Foundation (FAPESP) under Grant No. 17/18139-6.
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