Related papers: Local self-interaction correction method with a si…
We extend the Wolff algorithm to include correlated spin interactions in diluted magnetic systems. This algorithm is applied to study the site-bond-correlated Ising model on a two dimensional square lattice. We use a finite size scaling…
While convolution and self-attention are extensively used in learned image compression (LIC) for transform coding, this paper proposes an alternative called Contextual Clustering based LIC (CLIC) which primarily relies on clustering…
Intrinsic alignments (IA) of galaxies have been recognized as one of the most serious contaminants to weak lensing. These systematics need to be isolated and mitigated in order for ongoing and future lensing surveys to reach their full…
We show how to place constraints on cluster physics by stacking the weak lensing signals from multiple clusters found through the Sunyaev-Zeldovich (SZ) effect. For a survey that covers about 200 sq. deg. both in SZ and weak lensing…
It has been shown that changes in the energy of a system of nonwetting-liquid clusters confined in a random nanoporous medium in the process of relaxation can be written in the quasiparticle approximation in the form of the sum of the…
Self-interacting dark matter is known as one of the most appropriate candidates for dark matter. Due to its excellent success in removing many astrophysical problems, particularly in small scale structure, studying this model has taken on…
We obtain an explicit expression for the multipoint energy correlations of a non solvable two-dimensional Ising models with nearest neighbor ferromagnetic interactions plus a weak finite range interaction of strength $\lambda$, in a scaling…
Previous experiments have shown that spherical colloidal particles relax to equilibrium slowly after they adsorb to a liquid-liquid interface, despite the large interfacial energy gradient driving the adsorption. The slow relaxation has…
We present PyFLOSIC, an open-source, general-purpose Python implementation of the Fermi-L\"owdin orbital self-interaction correction (FLO-SIC), which is based on the Python simulation of chemistry frame-work (PySCF) electronic structure and…
While configuration interaction singles (CIS) provides a computationally efficient description of excited states, it systematically overestimates excitation energies and performs poorly for strongly correlated systems, partly due to the…
This work presents sparse invariant coordinate selection, SICS, a new method for sparse and robust independent component analysis. SICS is based on classical invariant coordinate selection, which is presented in such a form that a…
We use liquid state theory and computer simulations to gain insights into the shape of the structure factor for fluids of particles interacting via a combination of short-range attractions and long-range repulsions. Such systems can…
In this work, an improved methodology for studying interactions of proteins in solution by small-angle scattering, is presented. Unlike the most common approach, where the protein-protein correlation functions $g_{ij}(r)$ are approximated…
Density functional theory (DFT) and beyond-DFT methods are often used in combination with photoelectron spectroscopy to obtain physical insights into the electronic structure of molecules and solids. The Kohn-Sham eigenvalues are not…
The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion (SALR) potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk.…
Lossy compression is widely used to reduce storage and I/O costs for large-scale particle datasets in scientific applications such as cosmology, molecular dynamics, and fluid dynamics, where clustering structures (e.g., single-linkage or…
We investigate the local structure factor $S(z;q)$ at a free liquid-gas interface in systems with short-ranged intermolecular forces and determine the corrections to the leading-order, capillary-wave-like, Goldstone mode divergence of…
The behavior of fluids in the vicinity of the liquid-gas critical point is studied within the cell fluid model framework. The analytic method for deriving the equation of state of a cell fluid model in the low-temperature region (T<Tc) is…
Simulations of the two-dimensional Ising and 3-state Potts models at their critical points are performed using the invaded cluster (IC) algorithm. It is argued that observables measured on a sub-lattice of size l should exhibit a crossover…
We present the scheme that allows for efficient calculations of forces in the framework of pseudopotential self-interaction corrected (pSIC) formulation of the density functional theory. The scheme works with norm conserving and also with…