Related papers: Electric Field Gradient Calculations for Ice VIII …
In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the…
The Variational Quantum Eigensolver (VQE) is a fundamental algorithm in quantum computing, yet a coherent geometric characterization of VQE remains missing due to fragmented analyses across fixed-ansatz and adaptive-circuit formulations. In…
Recent practical approaches for the use of current generation noisy quantum devices in the simulation of quantum many-body problems have been dominated by the use of a variational quantum eigensolver (VQE). These coupled quantum-classical…
Direct air capture of Carbon Dioxide is a technical solution that does not rely on natural processes to capture CO2 from the atmosphere. In DAC, the filter material is designed to specifically bind CO2 molecules. Hence a high-capacity…
Voltage breakdown in high-voltage pulsed vacuum systems arises from nonlinear multiscale interactions among circuit dynamics, kinetic plasma evolution, and ion-induced secondary electron emission (SEE) at electrode surfaces. Although…
The nature of multiple electronic orders in skutterudite PrFe_4P_{12} is discussed on the basis of a model with antiferro-quadrupole (AFQ) interaction of \Gamma_3 symmetry. The high-field phase can be reproduced qualitatively provided (i)…
The scalar mode polarization of the cosmic microwave background is derived in a spatially closed universe from the Boltzmann equation using the line of sight integral method. The EE and TE multipole coefficients have been extracted…
In the noisy intermediate-scale quantum (NISQ) era, flexible quantum operations are essential for advancing large-scale quantum computing, as they enable shorter circuits that mitigate decoherence and reduce gate errors. However, the…
The local electronic structure of YBa2Cu3O7 has been calculated using first-principles cluster methods. Several clusters embedded in an appropriate background potential have been investigated. The electric field gradients at the copper and…
Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…
The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…
The Variational Quantum Eigensolver (VQE) is a method of choice to solve the electronic structure problem for molecules on near-term gate-based quantum computers. However, the circuit depth is expected to grow significantly with problem…
The spatial distribution of the incompressible edge states (IES) is obtained for a geometry which is topologically equivalent to an electronic Mach-Zehnder interferometer, taking into account the electron-electron interactions within a…
This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…
The $GW$-Bethe-Salpeter Equation (BSE) method is promising for calculating the low-lying excited states of molecular systems. So far, it has only been applied to rather small molecules, and in the commonly implemented diagonal…
We perform a series of calculations using simulated QPUs, accelerated by the NVIDIA CUDA-Q platform, focusing on a molecular analog of an amine-functionalized metal-organic framework (MOF), a promising class of materials for CO$_2$ capture.…
Modeling the chemical, electric, and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential…
We have calculated static and dynamic electric dipole (E1) polarizabilities ($\alpha_F$) of the hyperfine levels of the clock transition precisely in $^{133}$Cs. The scalar, vector, and tensor components of $\alpha_F$ are estimated by…
In this research work, we propose a high-order time adapted scheme for pricing a coupled system of fixed-free boundary constant elasticity of variance (CEV) model on both equidistant and locally refined space-grid. The performance of our…
Variational quantum eigensolver (VQE), aiming at determining the ground state energy of a quantum system described by a Hamiltonian on noisy intermediate scale quantum (NISQ) devices, is among the most significant applications of…