Related papers: An independent, general method for checking consis…
In this paper we study reconstruction of a function $f$ from its discrete Radon transform data in $\mathbb R^3$ when $f$ has jump discontinuities. Consider a conventional parametrization of the Radon data in terms of the affine and angular…
The short and intermediate-range order in GeO$_2$ glass are investigated by molecular dynamics using machine-learning interatomic potential trained on ab initio calculation data and compared with reverse Monte Carlo fitting of neutron…
In this paper, we study an inverse problem for identifying the initial value in a space-time fractional diffusion equation from the final time data. We show the identifiability of this inverse problem by proving the existence of its unique…
We describe how Monte Carlo simulation within the grand canonical ensemble can be applied to the study of phase behaviour in polydisperse fluids. Attention is focused on the case of fixed polydispersity in which the form of the `parent'…
It\^{o} processes are the most common form of continuous semimartingales, and include diffusion processes. This paper is concerned with the nonparametric regression relationship between two such It\^{o} processes. We are interested in the…
A procedure for unfolding the true distribution from experimental data is presented. Machine learning methods are applied for simultaneous identification of an apparatus function and solving of an inverse problem. A priori information about…
We show how a ground state trial wavefunction of a Fermi liquid can be systematically improved introducing a sequence of renormalized coordinates through an iterative backflow transformation. We apply this scheme to calculate the ground…
We present benchmark problems and solutions for the continuum radiative transfer (RT) in a 2D disk configuration. The reliability of three Monte-Carlo and two grid-based codes is tested by comparing their results for a set of well-defined…
We discuss the behavior of partially wetting liquids on a rotating cylinder using a model that takes into account the effects of gravity, viscosity, rotation, surface tension and wettability. Such a system can be considered as a prototype…
We study the flow harmonic distribution in deformed nuclei. To do this, we use the standard Gram-Charlier method to find the higher-order correction to the well-known Bessel-Gaussian distribution. We find that, apart from the necessity of…
We consider a quantum system coupled to a dissipative background with many degrees of freedom using the Monte Carlo Wave Function method. Instead of dealing with a density matrix which can be very high-dimensional, the method consists of…
We investigate the identification of the time-dependent source term in the diffusion equation using boundary measurements. This facilitates tracing back the origins of environmental pollutants. Employing the concept of dynamic complex…
Magnetic neutron scattering measures spin-spin correlations giving information about the long-range spin order as well as the shape of the spin density in magnetic materials. Similarly, detailed first principles calculations directly…
The most common way to sample from a probability distribution is to use Monte-Carlo methods. For distributions on a continuous state space, one can find diffusions with the target distribution as equilibrium measure, so that the state of…
In the study of phase transitions a very few models are accessible to exact solution. In the most cases analytical simplifications have to be done or some numerical technique has to be used to get insight about their critical properties.…
Fluid discontinuities, such as shock fronts and vortex sheets, can reflect waves and become unstable to corrugation. Analytical calculations of these phenomena are tractable in the simplest cases only, while their numerical simulations are…
We introduce a computer program to simulate the results of neutron powder-diffraction experiments at the High Flux Isotope Reactor at Oak Ridge National Laboratory. The program is freely available as a web application at…
Neutron diffraction results obtained for plastic crystalline dichlorodibromomethane (CBr2Cl2) have been modelled by means of the Reverse Monte Carlo method. Comparison with its liquid phase is provided at several levels of the atomic…
We present a Monte Carlo algorithm for selectively sampling radial distribution functions and effective interaction potentials in asymmetric liquid mixtures. We demonstrate its efficiency for hard-sphere mixtures, and for model systems with…
We investigate the thermodynamic, structural, and dynamic behavior of a three-dimensional coarse-grained ramp-shoulder fluid derived from effective interactions between polymer-grafted nanoparticles. The interaction combines a softened…