Computational Physics
We present EDIpack, an exact diagonalization package to solve generic quantum impurity problems. The algorithm includes a generalization of the look-up method introduced in [Lin, Gubernatis Comput. Phys., 7 (4) (1993), 400] and enables a…
A wavelet-based method for compression of three-dimensional simulation data is presented and its software framework is described. It uses wavelet decomposition and subsequent range coding with quantization suitable for floating-point data.…
The processes of neutron fluxes interaction with an aqueous solution of methyl orange organic dye have been investigated. The work was carried out on a LINAC LUE-300 at NSC KIPT. A set of tungsten plates was used as a neutron-generating…
The APEnet+ board delivers a point-to-point, low-latency, 3D torus network interface card. In this paper we describe the latest generation of APEnet NIC, APEnet v5, integrated in a PCIe Gen3 board based on a state-of-the-art, 28 nm Altera…
Monte Carlo simulations are widely used in nuclear physics to model experimental systems. In cases where there are significant unknown quantities, such as energies of states, an iterative process of simulating and fitting is often required…
The use of flux limiters is widespread within the scientific computing community to capture shock discontinuities and are of paramount importance for the temporal integration of high-speed aerodynamics, multiphase flows, and hyperbolic…
Multifractal detrended fluctuation analysis (MFDFA) has become a central method to characterise the variability and uncertainty in empiric time series. Extracting the fluctuations on different temporal scales allows quantifying the strength…
Reservoir computers (RC) are a form of recurrent neural network (RNN) used for forecasting timeseries data. As with all RNNs, selecting the hyperparameters presents a challenge when training onnew inputs. We present a method based on…
The Time Dependent Boltzmann equation (TDBE) is a viable option to study strongly out-of-equilibrium thermalization dynamics which are becoming increasingly critical for many novel physical applications like Ultrafast thermalization,…
Controlling the evolution of nonequilibrium systems to minimize dissipated heat or work is a key goal for designing nanodevices, both in nanotechnology and biology. Progress in computing optimal protocols has thus far been limited to either…
Spectral reconstructions provide rigorous means to remove the Gibbs phenomenon and accelerate the convergence of spectral solutions in non-smooth differential equations. In this paper, we show the concurrent emergence of truncated…
In most of standard Finite Element (FE) codes it is not easy to calculate dispersion relations from periodic materials. Here we propose a new strategy to calculate such dispersion relations with available FE codes using user element…
High order reconstruction in the finite volume (FV) approach is achieved by a more fundamental form of the fifth order WENO reconstruction in the framework of orthogonally-curvilinear coordinates, for solving the hyperbolic conservation…
The linear micro-instabilities driving turbulent transport in magnetized fusion plasmas (as well as the respective nonlinear saturation mechanisms) are known to be sensitive with respect to various physical parameters characterizing the…
Delay-based reservoir computing has gained a lot of attention due to the relative simplicity with which this concept can be implemented in hardware. However,there is still an misconception about the relationship between the delay-time and…
The method-of-moments implementation of the electric-field integral equation yields many code-verification challenges due to the various sources of numerical error and their possible interactions. Matters are further complicated by singular…
The processes of interaction of an aqueous solution of methylene blue (MB) organic dye ($C_{16}H_{18}N_{3}SCl$ ) with gamma quanta and electrons have been investigated. A model has been developed, and the passage of electrons with an energy…
A line search in gradient-based optimization algorithm solves the problem of determining the optimal learning rate for a given gradient or search direction in a single iteration. For most problems, this is determined by evaluating different…
Molecular dynamics (MD) simulation predicts the trajectory of atoms by solving Newton's equation of motion with a numeric integrator. Due to physical constraints, the time step of the integrator need to be small to maintain sufficient…
Fermi--L\"owdin orbitals (FLO) are a special set of localized orbitals, which have become commonly used in combination with the Perdew--Zunger self-interaction correction (SIC) in the FLO-SIC method. The FLOs are obtained for a set of…