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Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…
Representing a strongly interacting multi-particle wave function in a finite product basis leads to errors. Simple rescaling of the contact interaction can preserve the low-lying energy spectrum and long-wavelength structure of wave…
Cold dark matter (DM) scenario may be cured of several problems by involving self-interaction of dark matter. Viability of the models of long-range interacting DM crucially depends on the effectiveness of recombination of the DM particles,…
The discretization approximation method commonly used to simulate the dynamics of quantum system coupled to the environment in continuum often suffers from the periodically partial recovery of initial state because of the effect of finite…
We propose a scheme to realize high-precision quantum interferometry with entangled non-Gaussian states by driving the system through quantum phase transitions. The beam splitting, in which an initial non-degenerate groundstate evolves into…
Computing solutions to partial differential equations using the fast Fourier transform can lead to unwanted oscillatory behavior. Due to the periodic nature of the discrete Fourier transform, waves that leave the computational domain on one…
This work presents a new methodology for computing ground states of Bose-Einstein condensates based on finite element discretizations on two different scales of numerical resolution. In a pre-processing step, a low-dimensional (coarse)…
We study three-body recombination in two dimensions for systems interacting via short-range two-body interactions in the regime of large scattering lengths. Using the adiabatic hyperspherical representation, we derive semi-analytical…
We study a pseudoscalar dark-matter model arising from a complex singlet extension of the standard model (SM), and show that the dark-matter--nucleon scattering is suppressed when two CP-even scalars are degenerate. In such a…
We propose a surrogate model for two-scale computational homogenization of elastostatics at finite strains. The macroscopic constitutive law is made numerically available via an explicit formulation of the associated macro-energy density.…
For a quasi-molecular mechanism of cosmological recombination, a scheme of calculation based on a rigorous quantum-mechanical approach is elaborated. The probability of free-bound radiative transition into an excited state of a…
An efficient computational approach for optimal reconstruction of binary-type images suitable for models in various applications including biomedical imaging is developed and validated. The methodology includes derivative-free optimization…
In the presence of a neighboring atom, electron-ion recombination can proceed resonantly via excitation of an electron in the atom, with subsequent relaxation through radiative decay. It is shown that this two-center dielectronic process…
We use transient absorption spectroscopy to monitor the ionization and dissociation products following two-photon excitation of pure liquid water. The two decay mechanisms occur with similar yield for an excitation energy of 9.3 eV, whereas…
Modelling the process of recombination leads to a large coupled nonlinear dynamical system. Here, we consider a particular case of recombination in {\em discrete} time, allowing only for {\em single crossovers}. While the analogous dynamics…
Based on the thermodynamic variation, we rigorously derive the sharp-interface model for solid-state dewetting on a flat substrate in the form of cylindrical symmetry. The governing equations for the model belong to fourth-order geometric…
For the study of complex synthetic and biological molecular systems by computer simulations one is still restricted to simple model systems or to by far too small time scales. To overcome this problem multiscale techniques are being…
Simulating chemical reactions is a central challenge in computational chemistry, characterized by an uneven difficulty profile: while equilibrium reactant and product geometries are often classically tractable, intermediate transition…
The present study concerns the numerical homogenization of second order hyperbolic equations in non-divergence form, where the model problem includes a rapidly oscillating coefficient function. These small scales influence the large scale…
This paper is devoted to the design and analysis of a numerical algorithm for approximating solutions of a degenerate cross-diffusion system, which models particular instances of taxis-type migration processes under local sensing…