Related papers: C-Pol: Point charge perturbation scheme for mappin…
A nanocomposite film containing highly polarizable inclusions in a fluid background is explored when an external electric field is applied perpendicular to the planar film. For small electric fields, the induced dipole moments of the…
$2^m$-ary modulation creates $m$ bit channels which are neither independent nor identical, and this causes problems when applying polar coding because polar codes are designed for independent identical channels. Different from the existing…
In this work, we introduce the Kaiser-Bessel interpolation basis for the particle-mesh interpolation in the fast Ewald method. A reliable a priori error estimate is developed to measure the accuracy of the force computation in correlated…
The present work proposes an approach to obtain a basis-set correction based on density-functional theory (DFT) for the computation of molecular properties in wave-function theory (WFT). This approach allows one to accelerate the basis-set…
This paper first presents a new approach to evaluating the descriptive complexity of finite-length binary sequences. Specifically, we investigate the sequence-wise recovery behavior induced by polar compression and successive cancellation…
Calculating dipole moments with high-order basis sets is generally only possible for the light molecules, such as water. A simple, yet highly effective strategy of obtaining high-order dipoles with small, computationally less expensive…
We study the polarisation properties of extragalactic sources at 95 and 150 GHz in the SPTpol 500 deg$^2$ survey. We estimate the polarised power by stacking maps at known source positions, and correct for noise bias by subtracting the mean…
We investigate the polarization parameters in low-energy antiproton-proton elastic ($\bar{p}p\rightarrow\bar{p}p$) and charge-exchange ($\bar{p}p\rightarrow\bar{n}n$) scattering. The predictions for unmeasured observables are based on our…
Accurate modelling of electrostatic interactions and charge transfer is fundamental to computational chemistry, yet most machine learning interatomic potentials (MLIPs) rely on local atomic descriptors that cannot capture long-range…
This paper proposes a charge-conserving, variational, spatio-temporal discretization for the drift-kinetic Vlasov-Maxwell system, utilizing finite-elements for the electromagnetic fields and the particle-in-cell approach for the Vlasov…
This paper presents a convolution tensor decomposition based model reduction method for solving the Allen-Cahn equation. The Allen-Cahn equation is usually used to characterize phase separation or the motion of anti-phase boundaries in…
This work extends the multiscale structure originally developed for point cloud geometry compression to point cloud attribute compression. To losslessly encode the attribute while maintaining a low bitrate, accurate probability prediction…
The accuracy of classical force fields (FFs) has been shown to be limited for the simulation of cation-protein systems despite their importance in understanding the processes of life. Improvements can result from optimizing the parameters…
The polarization modes of the cosmological microwave background are an invaluable source of information for cosmology, and a unique window to probe the energy scale of inflation. Extracting such information from microwave surveys requires…
The previously applied independent atom model (IAM) for highly charged ion-molecule collisions which implemented the suppression of multiple ionization and capture on the basis of geometric overlaps of cross-sectional areas representing…
This article provides next step towards solving speed bottleneck of any system that intensively uses convolutions operations (e.g. CNN). Method described in the article is applied on deformable part models (DPM) algorithm. Method described…
We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
The independent atom model - pixel counting method (IAM-PCM) for the description of ion-molecule collisions is reviewed. The method was introduced (in 2016) to improve on the simple additivity rule according to which scattering cross…
The electromechanical response of polymeric soft matter to applied electric fields is of fundamental scientific interest as well as relevant to technologies for sensing and actuation. Several existing theoretical and numerical approaches…