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Quantum algorithm for electronic band structures with local tight-binding orbitals

Description: Article says that while the main thrust of quantum computing research in materials science is to accurately measure the classically intractable electron correlation effects due to Coulomb repulsion, designing optimal quantum algorithms for simpler problems with well-understood solutions is a useful tactic to advance our quantum “toolbox”. In this paper, the authors adopt a direct space approach, using a novel hybrid first/second-quantized qubit mapping which allows us to construct a single Hami… more
Date: June 14, 2022
Creator: Sherbert, Kyle; Jayaraj, Anooja & Buongiorno Nardelli, Marco
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

A role for ascorbate conjugates of (+)-catechin in proanthocyanidin polymerization

Description: Article describes how both biochemically and genetically, that ascorbate (AsA) is an alternative “starter unit” to flavan-3-ol monomers for leucocyanidin-derived (+)-catechin subunit extension in the Arabidopsis thaliana anthocyanidin synthase (ans) mutant. The authors' findings advance the knowledge of (+)-catechin-type PA extension and indicate that PA oligomerization does not necessarily proceed by sequential addition of a single extension unit. AsA-[C]n defines a new type of PA intermediate… more
Date: June 14, 2022
Creator: Yu, Keji; Dixon, R. A. & Duan, Changquing
Item Type: Refine your search to only Article
Partner: UNT College of Science
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