Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session B60: Computational Design, Understanding and Discovery of Novel Materials II
11:30 AM–2:30 PM,
Monday, March 4, 2024
Room: 207AB
Sponsoring
Units:
DCOMP DMP DCMP
Chair: FARHA NAAZ, Indian Institute of Technology Kanpur, India; Ravishankar Sundararaman, Rensselaer Polytechnic Institute
Abstract: B60.00004 : Design of Novel Metal Organic Chalcogenolates via High-Throughput Crystal Structure Generation and Density Functional Theory*
12:30 PM–12:42 PM
Presenter:
Adriana Ladera
(Massachusetts Institute of Technology)
Authors:
Adriana Ladera
(Massachusetts Institute of Technology)
Aria Mansouri Tehrani
(ETH Zurich)
Tess E Smidt
(MIT)
*A.L. acknowledges funding from the National Science Foundation Graduate Research Fellowship Program. A.M.T. and T.S. were supported by DOE ICDI grant DE-SC0022215. A.L. and T.S. acknowledge NERSC for computational resource allocations.
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