Related papers: First-principles wavevector- and frequency-depende…
The peculiar linear temperature-dependent swelling of core-shell microgels has been conjectured to be linked to the core-shell architecture combining materials of different transition temperatures. Here the structure of pNIPMAM-core and…
In a number of geophysical or planetological settings (Earth's inner core, a silicate mantle crystallizing from a magma ocean, or an ice shell surrounding a deep water ocean) a convecting crystalline layer is in contact with a layer of its…
In this report we investigate the multiscale hydrodynamical response of a liquid as a function of mixture composition. This is done via a series of molecular dynamics simulations where the wave vector dependent viscosity kernel is computed…
Needlets have been recognized as state-of-the-art tools to tackle spherical data, due to their excellent localization properties in both spacial and frequency domains. This paper considers developing kernel methods associated with the…
The paper presents the results of the experimental study of polarization bremsstrahlung profile halfwidth performed on free xenon clusters with various atom numbers. We used 0.7- and 0.3-keV electrons to excite mainly the core and the…
We outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key…
We present the development and implementation of the relativistic coupled cluster linear response theory (CC-LR) which allows the determination of molecular properties arising from time-dependent or time-independent electric, magnetic, or…
A new class of orbital-dependent exchange-correlation (xc) potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential (OEP) formalism for the exact exchange…
Short-range correlation pairs (SRCs) -- core of nuclear structure, composed of highly off-shell nucleons -- are mostly studied via electron-nucleon scattering, leaving a gap in meson-based probes. We propose probing SRC off-shell nucleons…
Kernel discrepancies are a powerful tool for analyzing worst-case errors in quasi-Monte Carlo (QMC) methods. Building on recent advances in optimizing such discrepancy measures, we extend the subset selection problem to the setting of…
We construct examples of translationally invariant solvable models of strongly-correlated metals, composed of lattices of Sachdev-Ye-Kitaev dots with identical local interactions. These models display crossovers as a function of temperature…
The experiment, E08-014, in Hall-A at Jefferson Lab aims to study the short-range correlations (SRC) which are necessary to explain the nuclear strength absent in the mean field theory. The cross sections for $\mathrm{^{2}H}$,…
Materials containing multiple topological characteristics become more exotic when combined with noncentrosymmetric crystal structures and unusual magnetic phases such as the compensated half-metal state, which is gapped in one spin…
We introduce property-independent kernels for machine learning modeling of arbitrarily many molecular properties. The kernels encode molecular structures for training sets of varying size, as well as similarity measures sufficiently diffuse…
Novel fermions with relativistic linear dispersion can emerge as low-energy excitations in topological semimetal materials. Here, we show that the orbital moment contribution in the circular photomagnetic effect for these topological…
Estimates of the exchange interaction parameter (J) between electronic magnetic momenta residing in the d-shells of several divalent first row transition metal ions, and those residing on the [TCNE]$^-$. anion-radicals (TCNE =…
Giant radio halos are the Mpc-scale extended sources associated with the merging clusters, while the mini-halos are preferentially associated with cool-core clusters. Both trace the ICM plasma physical process, and recent low-frequency…
In this work, the spin-averaged $B_c$ spectrum is computed in a naive Cornell framework, treating the meson as a nonrelativistic system in a spin-independent potential. The Cornell parameters are calibrated directly to the spin-averaged…
Depending on the volume fraction and interparticle interactions, colloidal suspensions can form different phases, ranging from fluids, crystals, and glasses to gels. For soft microgels that are made from thermoresponsive polymers, the…
We investigate the ground-state properties of a collection of \textit{N} non-interacting electrons in a macroscopic volume $\Omega$ also containing a crystalline array of \textit{N} spheres of radius $r_c$ each taken as largely impenetrable…