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We present a unifying approach to studying the replica symmetric solution in general diluted spin glass models on random $p$-uniform hypergraphs with sparsity parameter $\alpha$. Our result shows that there exist two key regimes in which…
Water desalination plants (DPs) are among the most critical infrastructures and largest electricity loads in water-scarce regions worldwide. Although reverse osmosis (RO) desalination is the most energy-efficient and dominant technology, it…
Self-consistent factorization of two-body residual interaction is proposed for arbitrary density- and current-dependent energy functionals. Following this procedure, a separable RPA (SRPA) method is constructed. SRPA dramatically simplifies…
We study fluid structure and water-like anomalies of a system constituted by dimeric particles interacting via a purely repulsive core-softened potential by means of integral equation theories. In our model, dimers interact through a…
We revisit early suggestions to observe spin-charge separation (SCS) in cold-atom settings {in the time domain} by studying one-dimensional repulsive Fermi gases in a harmonic potential, where pulse perturbations are initially created at…
Dense particle suspensions are promising candidates for next-generation Concentrated Solar Power (CSP) receivers, enabling operating temperatures above 800 degrees C. However, accurate modeling of the rheological behavior of granular flows…
New hybrid Molecular Dynamics-Monte Carlo methods are proposed to increase the efficiency of constant-pressure simulations. Two variations of the isobaric Molecular Dynamics component of the algorithms are considered. In the first, we use…
Free-energy differences between pairs of end-states can be estimated based on molecular dynamics (MD) simulations using standard pathway-dependent methods such as thermodynamic integration (TI), free-energy perturbation, or Bennett's…
Key generation is a promising technique to establish symmetric keys between resource-constrained legitimate users. However, key generation suffers from low secret key rate (SKR) in harsh environments where channel randomness is limited. To…
A hierarchical (triple scale) simulation methodology is presented for the prediction of the dynamical and rheological properties of high molecular weight entangled polymer melts. The methodology consists of atomistic, moderately…
We present here a brief overview of our work in developing a convolutionless quantum master equation approach suitable for mesoscopic sized systems. Our final equation can be used in the regimes where the golden rule approach is not…
The low conversion rate and efficiency always weaken the performance of thermochemical water-splitting reaction. Herein, we, for the first time, conducted the thermodynamic study of a hydrogen permeable membrane (HPM) in an isothermal…
We present an implementation of a damped response framework for calculating resonant inelastic X-ray scattering (RIXS) at the equation-of-motion coupled cluster singles and doubles (CCSD) and second-order approximate coupled cluster singles…
We experimentally study a scallop-like swimmer with reciprocally flapping wings in a nearly frictionless, cohesive granular medium consisting of hydrogel spheres. Significant locomotion is found when the swimmer's flapping frequency matches…
We derive scaling relations for the extension statistics and the confinement free energy for a semi-flexible polymer confined to a channel with a rectangular cross-section. Our motivation are recent numerical results [Gupta {\em et al.},…
We present a detailed comparison of computational efficiency and precision for several free energy difference ($\Delta F$) methods. The analysis includes both equilibrium and non-equilibrium approaches, and distinguishes between…
In this paper we propose an accurate, and computationally efficient method for incorporating adaptive spatial resolution into weakly-compressible Smoothed Particle Hydrodynamics (SPH) schemes. Particles are adaptively split and merged in an…
In the free energy of hydration of a solute, the chemical contribution is given by the free energy required to expel water molecules from the coordination sphere and the packing contribution is given by the free energy required to create…
Implementation of Effective Core Potentials (ECPs) into the molecular scattering suite UKRmol+ is presented together with a set of calculations for a range of targets relevant for plasma modeling. Continuum description in scattering and…
A class of recovering algorithms for 1-bit compressive sensing (CS) named Soft Consistency Reconstructions (SCRs) are proposed. Recognizing that CS recovery is essentially an optimization problem, we endeavor to improve the characteristics…