Related papers: Nano-particle Transition Matrix code implementatio…
The nucleon-nucleon (NN) t-matrix is calculated directly as function of two vector momenta for different realistic NN potentials. To facilitate this a formalism is developed for solving the two-nucleon Lippmann-Schwinger equation in…
The objective of this paper is to investigate a new numerical method for the approximation of the self-diffusion matrix of a tagged particle process defined on a grid. While standard numerical methods make use of long-time averages of…
We investigate fully self-consistent multiscale quantum-classical algorithms on current generation superconducting quantum computers, in a unified approach to tackle the correlated electronic structure of large systems in both quantum…
Substrates, and layered media in general, are ubiquitous, affect the properties of whatever is in their vicinity, and their influence is, in an arbitrary framework, challenging to quantify analytically, especially for large arrays which…
The increasing complexity and scale of photonic and electromagnetic devices demand efficient and accurate numerical solvers. In this work, we develop a parallel overlapping domain decomposition method (DDM) based on the finite-difference…
In this paper, we propose a computational framework for the optimal design of broadband absorbing materials composed of plasmonic nanoparticle arrays. This design problem poses several key challenges: (1) the complex multi-particle…
Accurate and fast modeling of electric fields in layered structures have a great scientific and practical value. Prevalent method for that is transfer-matrix method. However, transfer matrix method is limited to infinite plane wave…
Magnetic nanoparticles offer unique potential for various technological, biomedical, or environmental applications thanks to the size-, shape- and material-dependent tunability of their magnetic properties. To optimize particles for a…
A conversion matrix approach to solving network problems involving time-varying circuit components is applied to the method of moments for electromagnetic scattering analysis. Detailed formulations of this technique's application to the…
In the realm of contemporary physics, the bootstrap method is typically associated with an optimization-based approach to problem-solving. This method leverages our understanding of a specific physical problem, which is used as the…
A novel template matching algorithm that can incorporate the concept of deformable parts, is presented in this paper. Unlike the deformable part model (DPM) employed in object recognition, the proposed template-matching approach called…
We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve…
We develop a numerical model that reproduces the thermal equilibrium and the spin transfer mechanisms in magnetic nanomaterials. We analyze the coherent two-particle spin exchange interaction and the electron-electron collisions. Our study…
Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…
We revisit the rates of neutrino pair emission and absorption from nucleon-nucleon bremsstrahlung in supernova matter using the $T$-matrix formalism in the long-wavelength limit. Based on two-body potentials of chiral effective field theory…
In order to formulate mathematical conjectures likely to be true, a number of base cases must be determined. However, many combinatorial problems are NP-hard and the computational complexity makes this research approach difficult using a…
The Tree-Particle-Mesh (TPM) N-body algorithm couples the tree algorithm for directly computing forces on particles in an hierarchical grouping scheme with the extremely efficient mesh based PM structured approach. The combined TPM…
By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reducing the computational scaling of Kohn--Sham DFT. To date,…
Spontaneous structural rearrangements play a central role in the organization and function of complex biomolecular systems. In principle, physics-based computer simulations like Molecular Dynamics (MD) enable us to investigate these…
Magnetic molecules, modelled as finite-size spin systems, are test-beds for quantum phenomena and could constitute key elements in future spintronics devices, long-lasting nanoscale memories or noise-resilient quantum computing platforms.…