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A macroscopic energy barrier is a necessary condition for self-correcting quantum memory. In this Letter, we prove tight bounds on the energy barrier applicable to any quantum code obtained from the hypergraph product of two classical codes. If the underlying classical codes are low-density parity-check codes (LDPC), the energy barrier of the quantum code is shown to be the minimum energy barrier of the underlying classical codes (and their transposes) up to an additive O(1) constant.
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http://dx.doi.org/10.1103/PhysRevLett.134.180601 | DOI Listing |
Nanoscale
September 2025
Fujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, Higher Educational Key Laboratory for Nano Biomedical Technology of Fujian Province, The School of Pharmacy, Fujian Medical University, Fuzhou, Fujian 350122, People's Republic of China.
The rational design of non-precious metal catalysts as a replacement for Pd is of great importance for catalyzing various important chemical reactions. To realize this purpose, the palladium-like superatom NbN was doped into a defective graphene quantum dot (GQD) model with a double-vacancy site to design a novel single superatom catalyst, namely, NbN@GQD, based on density functional theory (DFT), and its catalytic activity for the Suzuki reaction was theoretically investigated. Our results reveal that this designed catalyst exhibits satisfactory activity with a small rate-limiting energy barrier of 25.
View Article and Find Full Text PDFJ Chem Theory Comput
September 2025
State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, Department of Pharmaceutical Sciences, Institute of Chemical Process Systems Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, China.
Organometallic catalysis lies at the heart of numerous industrial processes that produce bulk and fine chemicals. The search for transition states and screening for organic ligands are vital in designing highly active organometallic catalysts with efficient reaction kinetics. However, identifying accurate transition states necessitates computationally intensive quantum chemistry calculations.
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September 2025
State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing, 100029, P. R. China.
Polyethylene terephthalate (PET) glycolysis presents an effective solution to address plastic pollution while promoting the utilization of renewable resources. It is highly important to gain in-depth insights into the identification of the well-defined active sites and the structure-activity relationships in PET glycolysis. Herein, PW@UiO-67 with different exposed crystal facets, i.
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September 2025
Key Laboratory of Electrochemical Power Sources of Hubei Province, College of Chemistry and Molecular Sciences, Wuhan University, Wuhan, 430072, China.
Hybrid artificial layer based on inorganic/polymer composite endows superior toughness and mechanical strength, which can achieve high stability of lithium metal anode. However, the large particle size and uneven distribution of inorganic fillers hinder the uniform flow of lithium ions across the membrane, making it difficult to achieve smooth lithium metal deposition/stripping. In this work, a chemical lithiation-induced defluorination strategy is proposed to engineer poly(vinylidene difluoride) (PVDF)-based artificial layers, enabling in situ incorporation of highly dispersed LiF nanofiller within the polymer matrix and precise control over the LiF content.
View Article and Find Full Text PDFJ Chem Phys
September 2025
Yusuf Hamied Department of Chemistry. Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Folding and unfolding in molecules as simple as short hydrocarbons and as complicated as large proteins continue to be an active research field. Here, we investigate folding in n-C14H30 using both density functional theory (DFT)/B3LYP calculations of 27 772 local minima and a kinetic transition network calculated for a previously reported potential energy surface (PES) obtained by fitting roughly 250 000 B3LYP energies. In addition to generating a database of minima and the transition states that connect them, these calculations and the PES based on them have been used to develop a simple and accurate model for the energy landscape.
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