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The complex scaling method (CSM) is a useful similarity transformation of the Schr\"odinger equation, in which bound-state spectra are not changed but continuum spectra are separated into resonant and non-resonant continuum ones. Because…
Second-Harmonic Scatteringh (SHS) experiments provide a unique approach to probe non-centrosymmetric environments in aqueous media, from bulk solutions to interfaces, living cells and tissue. A central assumption made in analyzing SHS…
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 considerably simplifies…
We report a permutationally invariant polynomial (PIP) potential energy surface for the water 4-body interaction. This 12-atom PES is a fit to 2119, symmetry-unique, CCSD(T)-F12a/haTZ (aug-cc-pVTZ basis for 'O' atom and cc-pVTZ basis for…
Generative models have emerged as a powerful paradigm for solving physics systems and modeling complex spatiotemporal dynamics. However, achieving high physical accuracy without incurring high computational cost remains a fundamental…
We discuss the possibility of implementing asynchronous replica-exchange (or parallel tempering) molecular dynamics. In our scheme, the exchange attempts are driven by asynchronous messages sent by one of the computing nodes, so that…
In this article, we propose high-order finite-difference entropy stable schemes for the two-fluid relativistic plasma flow equations. This is achieved by exploiting the structure of the equations, which consists of three independent flux…
The exploration of circumstellar environments by means of direct imaging to search for Earth-like exoplanets is one of the challenges of modern astronomy. One of the current limitations are evolving non-common path aberrations (NCPA) that…
For a gas-solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir…
The smoothed particle hydrodynamics (SPH) method has been widely used to simulate incompressible and slightly compressible fluid flows. Adaptive refinement strategies to dynamically increase the resolution of the particles to capture sharp…
An analysis of the values and signs of the activation energies of temperature dependences (TDs) of the self-diffusion coefficient (D) and dynamic viscosity ({\eta}) in the range from 0 {\deg}C to 100 {\deg}C confirmed that the molecular…
Forecasting high-dimensional spatiotemporal systems remains computationally challenging for recurrent neural networks (RNNs) and long short-term memory (LSTM) models due to gradient-based training and memory bottlenecks. Reservoir Computing…
Nested sampling (NS) has emerged as a powerful tool for exploring thermodynamic properties in materials science. However, its efficiency is often hindered by the limitations of Markov chain Monte Carlo (MCMC) sampling. In strongly…
In this work, we develop a new hydrostatic reconstruction procedure to construct well-balanced schemes for one and multilayer shallow water flows, including wetting and drying. Initially, we derive the method for a path-conservative finite…
A new technique for on-line high resolution isotopic analysis of liquid water, tailored for ice core studies is presented. We built an interface between a Wavelength Scanned Cavity Ring Down Spectrometer (WS-CRDS) purchased from Picarro…
In 1986, Swendsen and Wang proposed a replica Monte Carlo algorithm for spin glasses [Phys. Rev. Lett. 57 (1986) 2607]. Two important ingredients are present, (1) the use of a collection of systems (replicas) at different of temperatures,…
The hydrodynamic interactions of a suspension of self-propelled particles are studied using a direct numerical simulation method which simultaneously solves for the host fluid and the swimming particles. A modified version of the "Smoothed…
To overcome the traditional paradigm of filtration, where separation is essentially performed upon steric sieving principles, we explore the concept of dynamic osmosis through active membranes. A partially permeable membrane presents a…
Glass transition and relaxation of the glycerol-water binary mixture system are studied over the glycerol concentration range of 5 - 85 mol% using the highly sensitive technique of spin probe ESR. For the water rich mixture the glass…
Spark plasma sintering (SPS) technique is applied in combination with hydrogen decrepitation process for the recycling of SmCo5 magnets. The SmCo5 magnets for recycling were first decrepitated by hydrogen gas of a pressure of 4 bar for 3…