Related papers: Simplification of QPLDA: A practical method to the…
Establishing a predictive ab initio method for solid systems is one of the fundamental goals in condensed matter physics and computational materials science. The central challenge is how to encode a highly-complex quantum-many-body wave…
Quantum bits have technological imperfections. Additionally, the capacity of a component that can be implemented feasibly is limited. Therefore, distributed quantum computation is required to scale up quantum computers. This dissertation…
Given a linear system of equations $A\boldsymbol{x}=\boldsymbol{b}$, quantum linear system solvers (QLSSs) approximately prepare a quantum state $|\boldsymbol{x}\rangle$ for which the amplitudes are proportional to the solution vector…
A method is explained through which a pointwise accurate approximation to the pion's valence-quark distribution amplitude (PDA) may be obtained from a limited number of moments. In connection with the single nontrivial moment accessible in…
We introduce an algorithm based on Generalized Dual Method (GDM) to efficiently study the dynamics of a particle in quasiperiodic environments without the need to use periodic approximations or to save the information of the vertices that…
We present the first principles results of point defect energetics in silicon calculated using the LDA+U method: a Hubbard type on-site interaction added to the local density approximation (LDA). The on-site Coulomb and exchange parameters…
This paper presents a simple model that mimics quantum mechanics (QM) results without using complex wavefunctions or non-localities. The proposed model only uses integer-valued quantities and arithmetic operations, in particular assuming a…
Quantum state preparation (QSP) is a fundamental task in quantum computing and quantum information processing. It is critical to the execution of many quantum algorithms, including those in quantum machine learning. In this paper, we…
Quasiparticle interference (QPI) of the electronic states has been widely applied in scanning tunneling microscopy (STM) to analyze the electronic band structure of materials. Single-defect induced QPI reveals defect-dependent interaction…
Standard approaches to quantum computing require significant overhead to correct for errors. The hardware size for conventional quantum processors in solids often increases linearly with the number of physical qubits, such as for transmon…
Approximate computing techniques have been successful in reducing computation and power costs in several domains. However, error sensitive applications in high-performance computing are unable to benefit from existing approximate computing…
Quantum approximate optimization is one of the promising candidates for useful quantum computation, particularly in the context of finding approximate solutions to Quadratic Unconstrained Binary Optimization (QUBO) problems. However, the…
The GW approximation represents the state-of-the-art ab-initio method for computing excited-state properties. Its execution requires control over a larger number of (often interdependent) parameters, and therefore its application in…
Large Language Models (LLMs) excel in diverse applications but suffer inefficiency due to massive scale. While quantization reduces computational costs, existing methods degrade accuracy in medium-sized LLMs (e.g., Llama-3-8B) due to…
Quasi-particle model of quark gluon plasma is the statistical mechanics of particles with medium dependent mass, related to plasma frequency, which was proposed to describe the thermodynamics of the medium itself. At relativistic limit the…
We present an extension of the quasiparticle self-consistent $GW$ approximation (QS$GW$) [Phys. Rev. B, 76 165106 (2007)] to include vertex corrections in the screened Coulomb interaction $W$. This is achieved by solving the Bethe-Salpeter…
We present excited states density functional theory (DFT) to calculate band gap for semiconductors and insulators. For the excited states exchange-correlation functional, we use a simple local density approximation (LDA) like functional and…
We present a general numerical approach to construct local Kohn-Sham potentials from orbital-dependent functionals within the all-electron full-potential linearized augmented-plane-wave (FLAPW) method, in which core and valence electrons…
Accurately estimating observables on noisy quantum devices remains a central challenge for near-term quantum algorithms. While quantum error mitigation techniques can reduce noise-induced bias, they often rely on unverifiable assumptions…
We introduce a quasi-static particle-in-cell (PIC) code -- WAND-PIC -- which does not suffer from some of the common limitations of many quasi-static PICs, such as the need for a predictor-corrector method in solving electromagnetic fields.…