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Quantum Computing (QC) is a new computational paradigm that promises significant speedup over classical computing in various domains. However, near-term QC faces numerous challenges, including limited qubit connectivity and noisy quantum operations. To address the qubit connectivity constraint, circuit mapping is required for executing quantum circuits on quantum computers. This process involves performing initial qubit placement and using the quantum SWAP operations to relocate non-adjacent qubits for nearest-neighbor interaction. Reducing the SWAP count in circuit mapping is essential for improving the success rate of quantum circuit execution as SWAPs are costly and error-prone. In this work, we introduce a novel circuit mapping method by combining incremental and parallel solving for Boolean Satisfiability (SAT). We present an innovative SAT encoding for circuit mapping problems, which significantly improves solver-based mapping methods and provides a smooth trade-off between compilation quality and compilation time. Through comprehensive benchmarking of 78 instances covering 3 quantum algorithms on 2 distinct quantum computer topologies, we demonstrate that our method is 26× faster than state-of-the-art solver-based methods, reducing the compilation time from hours to minutes for important quantum applications. Our method also surpasses the existing heuristics algorithm by 26% in SWAP count. 

Herein we study the effect alloying Yb onto the octahedral cite of Te doped Mg 3 Sb 1.5 Bi 0.5 has on transport and the material's high temperature stability. We show that the reduction in mobility can be well explained with an alloy scattering argument due to disrupting the Mg octahedral –Mg tetrahedral interaction that is important for placing the conduction band minimum at a location with high valley degeneracy. We note this interaction likely dominates the conducting states across n-type Mg 3 Sb 2 –Mg 3 Bi 2 solid solutions and explains why alloying on the anion site with Bi isn't detrimental to Mg 3 Sb 2 's mobility. In addition to disrupting this Mg–Mg interaction, we find that alloying Yb into the Mg 3 Sb 2 structure reduces its n-type dopability, likely originating from a change in the octahedral site's vacancy formation energy. We conclude showing that while the material's figure of merit is reduced with the addition of Yb alloying, its high temperature stability is greatly improved. This study demonstrates a site-specific alloying effect that will be important in other complex thermoelectric semiconductors such as Zintl phases. 

Discovery of novel high-performance materials with earth-abundant and environmentally friendly elements is a key task for civil applications based on advanced thermoelectric technology. Advancements in this area are greatly limited by the traditional trial-and-error method, which is both time-consuming and expensive. The materials genome initiative can provide a powerful strategy to screen for potential novel materials using high-throughput calculations, materials characterization, and synthesis. In this study, we developed a modified diffusion-couple high-throughput synthesis method and an automated histogram analysis technique to quickly screen high-performance copper chalcogenide thermoelectric materials, which has been well demonstrated in the ternary Cu–Sn–S compounds. A new copper chalcogenide with the composition of Cu 7 Sn 3 S 10 was discovered. Studies on crystal structure, band gap, and electrical and thermal transport properties were performed to show that it is a promising thermoelectric material with ultralow lattice thermal conductivity, moderate band gap, and decent electrical conductivity. Via Cl doping, the thermoelectric dimensionless figure of merit zT reaches 0.8 at 750 K, being among the highest values reported in Cu–Sn–S ternary materials. The modified diffusion-couple high-throughput synthesis method and automated histogram analysis technique developed in this study also shed light on the development of other advanced thermoelectric and functional materials.