Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session M47: Computational Design and Discovery of Novel Materials V
8:00 AM–10:24 AM,
Wednesday, March 16, 2022
Room: McCormick Place W-470B
Sponsoring
Units:
DCOMP DMP
Chair: Viet-anh Ha, University of Texas at Austin
Abstract: M47.00002 : Crystal structure prediction of energetic materials and a twisted arene with Genarris and GAtor*
8:12 AM–8:24 AM
Presenter:
Dana O'Connor
(Carnegie Mellon University)
Author:
Dana O'Connor
(Carnegie Mellon University)
Collaborations:
Imanuel Bier, Dana O'Connor (presenting author), Yun-Ting Hsieh, Wen Wen, Anna M. Hiszpanski, T. Yong-Jin Han, Noa Marom
*This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344 and supported by LDRD 19-SI-001
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