Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session Q33: Organic Optoelectronic Devices: Design and Performance
3:00 PM–5:48 PM,
Wednesday, March 8, 2023
Room: Room 225
Sponsoring
Units:
DPOLY DSOFT DMP FIAP
Chair: Kyungtae Kim, Los Alamos National Laboratory
Abstract: Q33.00012 : Designing High-Spin Small Organic Molecules for Optoelectronic Applications*
5:36 PM–5:48 PM
Presenter:
Neeraj Rai
(Mississippi State University)
Authors:
Neeraj Rai
(Mississippi State University)
Md Abdus Sabuj
(Mississippi State University)
Chinmoy Saha
(Mississippi State University)
Md Masrul Huda
(Mississippi State University)
*This work is supported by the National Science Foundation (NSF) under grant no. OIA-1757220. The DFT calculations were performed at the high-performance computing center at Mississippi State University. Also, the Extreme Science and Engineering Discovery Environment (XSEDE) was used, supported by NSF grant number ACI-1548562. We acknowledge the Texas Advanced Computing Center (TACC) at the University of Texas at Austin for providing (HPC, Stampede 2 (through XSEDE allocation, TG-CHE140141)) resources that have contributed to the research results reported within this paper.
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