Related papers: C-Pol: Point charge perturbation scheme for mappin…
We propose a method that exploits sparse representation of potential energy surfaces (PES) on a polynomial basis set selected by compressed sensing. The method is useful for studies involving large numbers of PES evaluations, such as the…
PyCharge is a computational electrodynamics Python simulator that can calculate the electromagnetic fields and potentials generated by moving point charges and can self-consistently simulate dipoles modeled as Lorentz oscillators. To…
The alternating least squares algorithm for CP and Tucker decomposition is dominated in cost by the tensor contractions necessary to set up the quadratic optimization subproblems. We introduce a novel family of algorithms that uses…
We tackle the challenge of estimating grouping structures and factor loadings in asset pricing models, where traditional regressions struggle due to sparse data and high noise. Existing approaches, such as those using fused penalties and…
The increased energy and power density required in modern electronics poses a challenge for designing new dielectric polymer materials with high energy density while maintaining low loss at high applied electric fields. Recently, an…
Polarization and charge transfer are important effects which are difficult to describe using conventional force fields. Charge equilibration models can include both of these effects in large-scale molecular simulations. However, these…
We briefly review recent theoretical and simulation studies of charged colloidal dispersions in alternating electric fields (AC fields). The response of single colloid to an external field can be characterized by a complex polarizability,…
With the recently emerging global interest in building a next generation of circular electron-positron colliders to study the properties of the Higgs boson, and other important topics in particle physics at ultra-high beam energies, it is…
A high level polarizable force field is used to study the temperature dependence of hydrophobic hydration of small-sized molecules from computer simulations. Molecular dynamics (MD) simulations of liquid water at various temperatures form…
The polarization decomposition of arbitrary binary-input memoryless channels (BMCs) is studied in this work. By introducing the polarization factor (PF), defined in terms of the conditional entropy of the channel output under various input…
Nuclear many-body calculations are computationally demanding. An estimate of their accuracy is often hampered by the limited amount of computational resources even on present-day supercomputers. We provide an extrapolation method based on…
We use a model of polarized Galactic emission developed by the the Planck collaboration to assess the impact of foregrounds on B-mode detection at low multipoles. Our main interest is to applications of noisy polarization data and in…
We present a reduced-scaling auxiliary-field quantum Monte Carlo (AFQMC) framework designed for large molecular systems and ensembles, with or without coupling to optical cavities. Our approach leverages the natural block sparsity of…
This paper presents our low-latency Polar code encoders and decoders developed for the 2025 International Symposium on Topics in Coding (ISTC 2025) contest, which challenges participants to implement the fastest possible channel code…
Three earlier relativistic coupled-cluster (RCC) calculations of dipole polarizability ($\alpha_d$) of the Cd atom are not in good agreement with the available experimental value of $49.65(1.65) \ e a_0^3$. Among these two are finite-field…
In order to handle extremely-high stored energy in future proton-proton colliders, an extremely high-efficiency collimation system is required for safe operation. At LHC, the major limiting locations in terms of particle losses on…
This work presents an efficient ASIC implementation of successive cancellation (SC) decoder for polar codes. SC is a low-complexity depth-first search decoding algorithm, favorable for beyond-5G applications that require extremely high…
We present POLAR, a polynomial arithmetic-based framework for efficient bounded-time reachability analysis of neural-network controlled systems (NNCSs). Existing approaches that leverage the standard Taylor Model (TM) arithmetic for…
We study quadrupole and monopole core polarization using harmonic oscillator wave funtions but with different length parameters for the valence particle as compared to the core. We use perturbation theory with a delta interaction. The…
Compression is a crucial solution for data reduction in modern scientific applications due to the exponential growth of data from simulations, experiments, and observations. Compression with progressive retrieval capability allows users to…