Related papers: Simplification of QPLDA: A practical method to the…
Nowadays pseudopotential density-functional theory calculations constitute the standard approach to tackle solid-state electronic problems. These rely on distributed pseudopotential tables that were built from all-electron atomic…
We introduce a method for the selective preparation and detection of quasiparticle wave packets, based on creation operators that generate dressed, localized excitations on top of interacting vacua of (quasi-)one-dimensional quantum lattice…
We provide a straightforward and numerically efficient procedure to perform local density approximation + Hubbard I (LDA+HIA) calculations, including self-consistency over the charge density, within the full potential linearized augmented…
Many-body open quantum systems, described by Lindbladian master equations, are a rich class of physical models that display complex equilibrium and out-of-equilibrium phenomena which remain to be understood. In this paper, we theoretically…
A multiscale approach was adopted for the calculation of confined states in self-assembled semiconductor quantum dots (QDs). While results close to experimental data have been obtained with a combination of atomistic strain and…
Fabrication errors pose a significant challenge in scaling up solid-state quantum devices to the sizes required for fault-tolerant (FT) quantum applications. To mitigate the resource overhead caused by fabrication errors, we combine two…
We study the phase space structure of exact quantum Wightman functions in spatially homogeneous, temporally varying systems. In addition to the usual mass shells, the Wightman functions display additional coherence shells around zero…
While in strongly correlated materials one often focuses on local electronic correlations, the influence of non-local exchange and correlation effects beyond band-theory can be pertinent in systems with more extended orbitals. Thus in many…
Quasiperiodic systems are important space-filling ordered structures, without decay and translational invariance. How to solve quasiperiodic systems accurately and efficiently is of great challenge. A useful approach, the projection method…
An oversight of several previous results from local density approximation (LDA) calculations appear to have led to an incomplete, and hence misleading, characterization of the capability of density functional theory (DFT) to describe…
Quasiprobabilistic decompositions (QPDs) play a key role in maximizing the utility of near-term quantum hardware. For example, Probabilistic Error Cancellation (PEC) (an error mitigation technique) and circuit cutting (which enables large…
Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…
The systematic underestimation of band gaps is one of the most fundamental challenges in semilocal density functional theory (DFT). In addition to hindering the application of DFT to predicting electronic properties, the band gap problem is…
Variational quantum algorithms (VQAs) have emerged as a promising near-term technique to explore practical quantum advantage on noisy intermediate-scale quantum (NISQ) devices. However, the inefficient parameter training process due to the…
The $x$-dependence of light-cone distribution amplitude (LCDA) can be directly calculated from a quasi distribution amplitude (DA) in lattice QCD within the framework of large-momentum effective theory (LaMET). In this paper, we study the…
It is the prevailing belief that quantum error correcting techniques will be required to build a utility-scale quantum computer able to perform computations that are out of reach of classical computers. The QECCs that have been most…
Quantum-centric supercomputing presents a compelling framework for large-scale hybrid quantum-classical tasks. Although quantum machine learning (QML) offers theoretical benefits in various applications, challenges such as large-size data…
In topologically-protected quantum computation, quantum gates can be carried out by adiabatically braiding two-dimensional quasiparticles, reminiscent of entangled world lines. Bonesteel et al. [Phys. Rev. Lett. 95, 140503 (2005)], as well…
Topological data analysis (TDA) is a powerful technique for extracting complex and valuable shape-related summaries of high-dimensional data. However, the computational demands of classical algorithms for computing TDA are exorbitant, and…
Quantum purity amplification (QPA) provides a novel approach to counteracting the pervasive noise that degrades quantum states. We present the optimal QPA protocol for general quantum systems and global noise, resolving a two-decade open…