Related papers: Fault-tolerant simulation of the electronic struct…
We present an implementation of the density-functional theory DFT$+U$$+V$ formalism within the all-electron full-potential linearized augmented-plane-wave (FLAPW) method as implemented in the FLEUR code. The DFT$+U$$+V$ formalism extends…
We describe a fault-tolerant one-way quantum computer on cluster states in three dimensions. The presented scheme uses methods of topological error correction resulting from a link between cluster states and surface codes. The error…
Quantum simulators have made a remarkable progress towards exploring the dynamics of many-body systems, many of which offer a formidable challenge to both theoretical and numerical methods. While state-of-the-art quantum simulators are in…
We propose a unifying phase-space approach to the construction of mutually unbiased bases for a two-qubit system. It is based on an explicit classification of the geometrical structures compatible with the notion of unbiasedness. These…
First-principles density functional theory (DFT) with plane wave (PW) basis set is the most widely used method in quantum mechanical material simulations due to its advantages in accuracy and universality. However, a perceived drawback of…
Recent quantum algorithms pertaining to electronic structure theory primarily focus on threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more…
(Abridged.) This thesis investigates scalable fault-tolerant quantum computation through the development of bosonic quantum codes, quantum LDPC codes, and decoding protocols that connect continuous-variable and discrete-variable error…
There is a pressing need for more accurate computational simulations of the opto-electronic properties of defects in materials to aid in the development of quantum sensing platforms. In this work, we explore how quantum computers could be…
We present an efficient and precise framework to quantum simulate the dynamics of the ultra-relativistic quark-nucleus scattering. This framework employs the eigenbasis of the asymptotic scattering system and implements a compact scheme for…
We present a straightforward, noniterative projection scheme that can represent the electronic ground state of a periodic system on a finite atomic-orbital-like basis, up to a predictable number of electronic states and with controllable…
We propose a scheme to control and enhance atomic Bloch oscillations via photon-mediated interactions in an optical lattice supported by a standing-wave cavity with incommensurate lattice and cavity wavelengths. Our scheme uses…
We have developed the quasiparticle self-consistent GW (QSGW) method based on a recently developed mixed basis all-electron full-potential method (the PMT method), which uses the augmented plane waves (APWs) and the highly localized…
Quantum computation offers the potential to solve fundamental yet otherwise intractable problems across a range of active fields of research. Recently, universal quantum-logic gate sets - the building blocks for a quantum computer - have…
Quantum error correction (QEC) is believed to be essential for the realization of large-scale quantum computers. However, due to the complexity of operating on the encoded `logical' qubits, understanding the physical principles for building…
Simulators based on neural networks offer a path to orders-of-magnitude faster electromagnetic wave simulations. Existing models, however, only address narrowly tailored classes of problems and only scale to systems of a few dozen degrees…
The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…
Ultra-wideband (UWB) indoor localization provides centimeter-level accuracy and low latency, but its measurement reliability degrades severely under Non-Line-of-Sight (NLOS) conditions, leading to meter-scale ranging errors and inconsistent…
The promise of quantum computing with imperfect qubits relies on the ability of a quantum computing system to scale cheaply through error correction and fault-tolerance. While fault-tolerance requires relatively mild assumptions about the…
In recent times, three-dimensional (3D) metamaterials have undergone a revolution driven mainly by the popularization of 3D-printing techniques, which has enabled the implementation of modern microwave and photonic devices with advanced…
We introduce a noise-aware extension to the parametric maximum-likelihood framework for component separation by modeling correlated $1/f^\alpha$ noise as a harmonic-space power law. This approach addresses a key limitation of existing…