{ "labelLang" : "hun", "responseDate" : "2024-03-28 12:36", "content" : { "otype" : "JournalArticle", "mtid" : 33611111, "status" : "VALIDATED", "published" : true, "comment" : "Funding Agency and Grant Number: Tulane University; Cypress Computational Cluster at Tulane; Department of Energy (DOE) Energy Frontier Research Centers (development and applications of DFT): Center for Complex Materials from First Principles [DE-SC0012575]; DOE, Office of Science, Basic Energy Sciences [DE-SC0019350, DE-FG0207ER46352]; National Energy Research Scientific Computing Center supercomputing center; National Energy Research Scientific Computing Center supercomputing center (DOE) [DEAC02-05CH11231]; DOE Energy Frontier Research Center: Center for Complex Materials from First Principles [DE-SC0012575]; NSF [DMR-1607868]; COST Action [CA16218]\n Funding text: We thank Hoang Tran, Carl Baribault, and Hideki Fujioka for their computational support at Tulane University. The work at Tulane University was supported by start-up funding from Tulane University, the Cypress Computational Cluster at Tulane, the Department of Energy (DOE) Energy Frontier Research Centers (development and applications of DFT): Center for Complex Materials from First Principles Grant DE-SC0012575, the DOE, Office of Science, Basic Energy Sciences Grant DE-SC0019350 (core research), and the National Energy Research Scientific Computing Center supercomputing center. The work at Northeastern University was supported by the DOE, Office of Science, Basic Energy Sciences Grant DE-FG0207ER46352 (core research) and benefited from Northeastern University's Advanced Scientific Computation Center, the National Energy Research Scientific Computing Center supercomputing center (DOE Grant DEAC02-05CH11231), and support (testing the efficacy of new functionals in diversely bonded materials) from the DOE Energy Frontier Research Center: Center for Complex Materials from First Principles Grant DE-SC0012575. The work at Temple University was also supported by NSF Grant DMR-1607868 (Condensed Matter and Materials Theory Program, Division of Materials Research, with a contribution from Chemical Theory, Models, and Computational Methods-Division of Chemistry). 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