相关论文: Quantum point defects in 2D materials: The QPOD da…

Defects influence the properties and functionality of all crystalline materials. For instance, point defects participate in electronic (e.g. carrier generation and recombination) and optical (e.g. absorption and emission) processes critical…

The development of spintronic devices demands the existence of materials with some kind of spin splitting (SS). In this Data Descriptor, we build a database of ab initio calculated SS in 2D materials. More than that, we propose a workflow…

We first consider the basic requirements for a quantum computer, arguing for the attractiveness of nuclear spins as information-bearing entities, and light for the coupling which allows quantum gates. We then survey the strengths of and…

Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the…

Choosing optimal representation methods of atomic and electronic structures is essential when machine learning properties of materials. We address the problem of representing quantum states of electrons in a solid for the purpose of machine…

Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) are considered a key materials class to scale microelectronics to the ultimate atomic level. The robust quantum properties in TMDs also enable new device concepts…

Quantum error correction requires the use of error syndromes derived from measurements that may be unreliable. Recently, quantum data-syndrome (QDS) codes have been proposed as a possible approach to protect against both data and syndrome…

In this work, we developed an automatic convergence procedure for k-points and plane wave cut-off in density functional (DFT) calculations and applied it to more than 30000 materials. The computational framework for automatic convergence…

The study of isolated defects in solids is a natural target for classical or quantum embedding methods that treat the defect at a high level of theory and the rest of the solid at a lower level of theory. Here, in the context of…

Quantum computers hold the promise of solving computational problems which are intractable using conventional methods. For fault-tolerant operation quantum computers must correct errors occurring due to unavoidable decoherence and limited…

We present the Quantum Computer Aided Design (QCAD) simulator that targets modeling multi-dimensional quantum devices, particularly silicon multi-quantum dots (QDs) developed for quantum bits (qubits). This finite-element simulator has…

Scaling beyond individual quantum devices via distributed quantum computing relies critically on high-fidelity quantum state transfers between devices, yet the quantum interconnects needed for this are currently unavailable or expected to…

Two dimensional (2D) materials have emerged as promising functional materials with many applications such as semiconductors and photovoltaics because of their unique optoelectronic properties. While several thousand 2D materials have been…

Due to their technological importance, point defects in silicon are among the best studied physical systems. The experimental examination of point defects buried in bulk is difficult and evidence for the various defects usually indirect.…

Recently implemented quantum devices such as quantum processors and quantum simulators combine highly complicated quantum dynamics with high-resolution measurements. We present a passivity deformation methodology that sets thermodynamic…

Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are…

Fault tolerance is a prerequisite for scalable quantum computing. Architectures based on 2D topological codes are effective for near-term implementations of fault tolerance. To obtain high performance with these architectures, we require a…

Low-loss optical communication requires light sources at 1.5um wavelengths. Experiments showed without much theoretical guidance that InAs/GaAs quantum dots (QDs) may be tuned to such wavelengths by adjusting the In fraction in an…

The Quantum Fourier Transformation (QFT) is a well-known subroutine for algorithms on qubit-based universal quantum computers. In this work, the known QFT circuit is used to derive an efficient circuit for the multidimensional QFT. The…

Anomaly detection is a crucial process in industrial manufacturing and has made significant advancements recently. However, there is a large variance between the data used in the development and the data collected by the production…