The phenomenon of dispersive shock waves (DSWs) exerts a critical influence on nonlinear dynamics in various nonlinear fields, and simulating this complex physical process remains a significant challenge. In this paper, we dramatically enhance the ability of physics-informed neural networks (PINNs) …

[Phys. Rev. E 110, 065307] Published Fri Dec 27, 2024

We introduce a projected complex Langevin (CL) numerical sampling method—a fictitious Langevin dynamics scheme that uses numerical projection to sample a constrained stationary distribution with highly oscillatory character. Despite the complex-valued degrees of freedom and associated sign problem, …

[Phys. Rev. E 110, 065308] Published Fri Dec 27, 2024

Obtaining the low-energy configurations of spin glasses that have rugged energy landscapes is of direct relevance to combinatorial optimization and fundamental science. Search-based heuristics have difficulty with this task due to the existence of many local minima that are far from optimal. The wor…

[Phys. Rev. E 110, 065306] Published Mon Dec 23, 2024

One major difficulty in applying quantum Monte Carlo to quantum spin glass models arises from the need to control the population of random walkers, which can lead to biases. Here, a projective quantum Monte Carlo method with neural-network-based guiding wave functions is used to eliminate population control bias. The study provides valuable insights into quantum spin glasses and demonstrates the effectiveness of neural network states in simulating frustrated quantum systems.

[Phys. Rev. E 110, 065305] Published Thu Dec 19, 2024

Two-dimensional lattice Boltzmann (LB) models for the Shakhov kinetic equation are developed. In contrast to several previous thermal LB models with variable Prandtl number, the present approach deals with the models on Cartesian lattices. This allows the standard collide-and-stream implementation. …

[Phys. Rev. E 110, 065304] Published Wed Dec 18, 2024

Recently, fictitious identical particles have provided a promising way to overcome the fermion sign problem and have been used in path integral Monte Carlo to accurately simulate warm dense matter with up to 1000 electrons [T. Dornheim et al., J. Phys. Chem. Lett. 15, 1305 (2024)]. The inclusion of…

[Phys. Rev. E 110, 065303] Published Tue Dec 17, 2024

We present a method to reconstruct the dielectric susceptibility (scattering potential) of an inhomogeneous scattering medium, based on the solution to the inverse scattering problem with internal sources. We consider a scalar model of light propagation in the medium. We employ the theory of reprodu…

[Phys. Rev. E 110, 065302] Published Wed Dec 11, 2024

We propose an upwind hybrid discontinuous Galerkin (HDG) method for the first-order hyperbolic linear Boltzmann transport equation, featuring a flexible expansion suitable for multiscale scenarios. Within the HDG scheme, primal variables and numerical traces are introduced within and along faces of …

[Phys. Rev. E 110, 065301] Published Thu Dec 05, 2024

Stochastic analytic continuation (SAC) of quantum Monte Carlo (QMC) imaginary-time correlation function data is a valuable tool in connecting many-body models to experimentally measurable dynamic response functions. Recent developments of the SAC method have allowed for spectral functions with sharp…

[Phys. Rev. E 110, 055307] Published Mon Nov 25, 2024

The problem of an optimal mapping between Hilbert spaces IN of $|\psi \rangle$ and OUT of $|\varphi \rangle$ based on a set of wavefunction measurements (within a phase) ${\psi }_l\to {\varphi }_l, l=1,\cdots ,M$, is formulated as an optimization problem maximizing the total fidelity ${\sum }_{l=1}^M{\omega }^{\left(l\right)}|\langle {\varphi }_l\left|\mathcal{U}\right|{\psi }_l{\rangle |}^2$ subject to probability preservation constraints …

[Phys. Rev. E 110, 055306] Published Tue Nov 19, 2024

Motivated by the limitations of conventional coarse-grained molecular dynamics for simulation of large systems of nanoparticles and the challenges in efficiently representing general pair potentials for rigid bodies, we present a method for approximating general rigid body pair potentials based on a…

[Phys. Rev. E 110, 055305] Published Tue Nov 12, 2024

We develop convergence acceleration procedures that enable a gradient descent-type iteration method to efficiently simulate Hartree-Fock equations for many particles interacting both with each other and with an external potential. Our development focuses on three aspects: (i) optimization of a param…

[Phys. Rev. E 110, 055304] Published Wed Nov 06, 2024

The authors present a “shift-invert Lanczos” method that helps significantly reducing the computational cost of solving transport with a non-equilibrium Green’s function theory. They show examples of application in the case of a model Hamiltonian and a more realistic one used to describe nuclear fission.

[Phys. Rev. E 110, 055302] Published Mon Nov 04, 2024

In this paper, we introduce a computational technique for modeling heterogeneous thermoresponsive hydrogels. The model resolves local fluid-solid interactions in hydrogel pores during the deswelling process. The model is a Lagrangian particle-based technique, which benefits from computational grids …

[Phys. Rev. E 110, 055303] Published Mon Nov 04, 2024

Moment methods are often used to solve transport problems involving the Boltzmann-BGK equation. Because the moment equations are underdetermined, these methods require an additional "closure equation" that relates higher to lower-order moments. Here, we examine the closure equation and higher-order …

[Phys. Rev. E 110, 055301] Published Fri Nov 01, 2024

We introduce a deep least action method (DLAM) rooted in the principle of least action to solve the trajectory of an evolution problem. DLAM offers an efficient unsupervised solution and can be applied once the action or Lagrangian of the concerned physical system is clear, totally avoiding the diff…

[Phys. Rev. E 110, 045311] Published Mon Oct 28, 2024

Simulating ensembles of branched macromolecules with annealed branches and statistically-controlled branching weights has been a long-standing challenge. The authors present a new algorithm for simulating random trees, advancing the computational theory of randomly branched polymers.

[Phys. Rev. E 110, 045312] Published Mon Oct 28, 2024

The double distribution function approach is an efficient route toward an extension of kinetic solvers to compressible flows. With a number of realizations available, an overview and comparative study in the context of high-speed compressible flows is presented. We discuss the different variants of …

[Phys. Rev. E 110, 045313] Published Mon Oct 28, 2024

Both structural and spin glasses are notoriously hard to simulate due to their slow dynamics. The authors adapt the SWAP algorithm, first introduced for structural glasses, to the case of lattice Ising spin models. The algorithm allows to sample ground states of an Ising spin glass with little numerical effort.

[Phys. Rev. E 110, L043301] Published Mon Oct 28, 2024

Pipelining is a design technique for logical circuits that allows for higher throughput than circuits in which multiple computations are fed through the system one after the other. It allows for much faster computation than architectures in which inputs must pass through every layer of the circuit b…

[Phys. Rev. E 110, 045310] Published Thu Oct 24, 2024

A lattice Boltzmann (LB) scheme for a level-set equation is proposed to capture interface and is coupled with the LB model for incompressible fluid to simulate immiscible two-phase flows. The reinitialization of a level-set field is achieved directly by adding a source term to LB equation, which avo…

[Phys. Rev. E 110, 045309] Published Tue Oct 22, 2024

Physics-based Ising machines (IM) have been developed as dedicated processors for solving hard combinatorial optimization problems with higher speed and better energy efficiency. Generally, such systems employ local search heuristics to traverse energy landscapes in searching for optimal solutions. …

[Phys. Rev. E 110, 045308] Published Fri Oct 18, 2024

In this work, we aim to unveil the general correlations between the performance of a physical reservoir computing (RC) system and the inherent nonlinear dynamics of the adopted device. Taking the metal-ferroelectric-metal (MFM) capacitor, one of the most popular candidate devices for compute-in-memo…

[Phys. Rev. E 110, 045307] Published Thu Oct 17, 2024

Structures, or spatial arrangements of matter and energy, including some fields (e.g., velocity or pressure) are ubiquitous in research applications and frequently require description for subsequent analysis, or stochastic reconstruction from limited data. The classical descriptors are two-point cor…

[Phys. Rev. E 110, 045306] Published Tue Oct 15, 2024

Large eddy simulations are a popular method for turbulent simulations because of their accuracy and efficiency. In this paper, a coupling algorithm is proposed that combines nonequilibrium moments (NM) and the volumetric strain-stretching (VSS) model within the framework of the lattice Boltzmann met…

[Phys. Rev. E 110, 045305] Published Fri Oct 11, 2024

We introduce a machine-learning approach (denoted symmetry seeker neural network) capable of automatically discovering discrete symmetry groups in physical systems. This method identifies the finite set of parameter transformations that preserve the system's physical properties. Remarkably, the meth…

[Phys. Rev. E 110, 045304] Published Thu Oct 10, 2024

Plagioclase is a principal component of the Earth's crust, whose compositional and structural analysis is vital for understanding the crust's construction and evolution. Accurate identification of extinction angle features plays an important role in determining the sodium-calcium content in plagiocl…

[Phys. Rev. E 110, 045303] Published Tue Oct 08, 2024

The development of new algorithms for simulations in physics is as important as the development of new analytical methods. In this paper, we present a comparison of the recently developed microcanonical population annealing (MCPA) algorithm with the rather mature Wang-Landau algorithm. The compariso…

[Phys. Rev. E 110, 045301] Published Mon Oct 07, 2024

Recent developments in distributed computing architecture are slowly changing the way we develop partial differential equation solvers for simulating complex industrial and natural systems. Since achieving perfect parallelization of implicit temporal schemes is quite challenging, there is a growing …

[Phys. Rev. E 110, 045302] Published Mon Oct 07, 2024

Identifying ordered structures hidden in the packings of particles is a common scientific question in multiple fields. In this work, we investigate the dynamical organizations of a large number of initially randomly packed repulsive particles confined on a disk under the Hamiltonian dynamics by the …

[Phys. Rev. E 110, 035302] Published Tue Sep 24, 2024

In this paper we first propose a phase-field model for the containerless freezing problems, in which the volume expansion or shrinkage of the liquid caused by the density change during the phase change process is considered by adding a mass source term to the continuum equation. Then a phase-field-b…

[Phys. Rev. E 110, 035301] Published Fri Sep 06, 2024

The computational exploration of reactive processes is challenging due to the requirement of thorough sampling across the free energy landscape using accurate ab initio methods. To address these constraints, machine learning potentials are employed, yet their training for this kind of problem is sti…

[Phys. Rev. E 110, L033301] Published Tue Sep 03, 2024

Reinforcement Learning offers a framework to learn to choose actions in order to control a system. However, at small scales Brownian fluctuations limit the control of nanomachine actuation or nanonavigation and of the molecular machinery of life. We analyze this regime using the general framework of…

[Phys. Rev. E 110, L023301] Published Fri Aug 30, 2024

We consider boundary-layer structures that arise in connection with the transport of neutral particles (e.g., photons or neutrons) through a participating medium. Such boundary-layer structures were previously identified by the authors in certain particular cases [Phys. Rev. E 104, L032801 (2021)]. …

[Phys. Rev. E 110, 025306] Published Wed Aug 28, 2024

The Newton-Raphson method is a fundamental root-finding technique with numerous applications in physics. In this study, we propose a parameterized variant of the Newton-Raphson method, inspired by principles from physics. Through analytical and empirical validation, we demonstrate that this approach…

[Phys. Rev. E 110, 025305] Published Mon Aug 19, 2024

We employ a lattice Boltzmann method to compute the acoustic radiation force produced by standing waves on a compressible object for the density matched case. Instead of simulating the fluid mechanics equations directly, the proposed method uses a lattice Boltzmann model that reproduces the wave equ…

[Phys. Rev. E 110, 025304] Published Tue Aug 13, 2024

Many macroscopic non-Fourier heat conduction models have been developed in the past decades based on Chapman-Enskog, Hermite, or other small perturbation expansion methods. These macroscopic models have achieved great success in capturing non-Fourier thermal behaviors in solid materials, but most of…

[Phys. Rev. E 110, 025303] Published Wed Aug 07, 2024

Reconstructing the past of observed fluids has been known as an ill-posed problem due to both numerical and physical challenges, especially when observations are distorted by inevitable noise, resolution limits, or unknown factors. When employing traditional differencing schemes to reconstruct the p…

[Phys. Rev. E 110, 025302] Published Tue Aug 06, 2024

Based on the mesoscopic scale, the lattice Boltzmann method (LBM) with an enthalpy-based model represented in the form of distribution functions is widely used in the liquid-solid phase transition process of energy storage materials due to its direct and relatively accurate characterization of the p…

[Phys. Rev. E 110, 025301] Published Mon Aug 05, 2024

Functional differential equations (FDEs) play a fundamental role in many areas of mathematical physics, including fluid dynamics (Hopf characteristic functional equation), quantum field theory (Schwinger-Dyson equations), and statistical physics. Despite their significance, computing solutions to FD…

[Phys. Rev. E 110, 015310] Published Tue Jul 30, 2024

In this paper, we extend the improved discrete unified gas-kinetic scheme (DUGKS) from solving the hydrodynamic equations to addressing the phase field equations, building upon our prior work [Wang et al., Phys. Fluids 35, 017106 (2023)]. The conservative Allen-Cahn equation and its modified form a…

[Phys. Rev. E 110, 015311] Published Tue Jul 30, 2024

We present fast simulation methods for the self-assembly of complex shapes in two dimensions. The shapes are modeled via a general boundary curve and interact via a standard volume term promoting overlap and an interpenetration penalty. To efficiently realize the Gibbs measure on the space of possib…

[Phys. Rev. E 110, 015309] Published Wed Jul 24, 2024

Random matrix theory is a useful tool in the study of the physics of multiple scattering systems, often striking a balance between computation speed and physical rigour. Propagation of waves through thick disordered media, as arises, for example, in optical scattering or electron transport, typicall…

[Phys. Rev. E 110, 015308] Published Fri Jul 19, 2024

In this work, we develop a phase-field-based lattice Boltzmann (LB) method for a two-scalar model of the two-phase flows with interfacial mass or heat transfer. Through the Chapman-Enskog analysis, we show that the present LB method can correctly recover the governing equations for phase field, flow…

[Phys. Rev. E 110, 015307] Published Wed Jul 17, 2024

We present a comprehensive analysis of the non-Newtonian lattice Boltzmann method (LBM) when it is used to simulate the distribution of wall shear stress (WSS). We systematically identify sources of numerical errors associated with non-Newtonian rheological behavior of fluids in off-grid geometries.…

[Phys. Rev. E 110, 015305] Published Mon Jul 15, 2024

Asymptotic freedom is a feature of quantum chromodynamics that guarantees its well posedness. We derive an analog of asymptotic freedom enabling unconditional linear stability of lattice Boltzmann simulation of hydrodynamics. We further demonstrate the validity of the derived conditions via the spec…

[Phys. Rev. E 110, 015306] Published Mon Jul 15, 2024

We describe a generalized algorithm for evaluating the steady-state solution of the density matrix equation of motion, for the pump-probe scheme, when two fields oscillating at different frequencies couple the same set of atomic transitions involving an arbitrary number of energy levels, to an arbit…

[Phys. Rev. E 110, 015304] Published Fri Jul 12, 2024

We propose alternative discretization schemes for improving the lattice Boltzmann pseudopotential model for incompressible multicomponent systems, with the purpose of modeling the flow of immiscible fluids with a large viscosity ratio. Compared to the original model of Shan-Chen [Phys. Rev. E 47, 18…

[Phys. Rev. E 110, 015303] Published Mon Jul 08, 2024

We develop a numerical method for simulating the dynamics of a droplet immersed in a generic time-dependent velocity gradient field. This approach is grounded on the hybrid coupling between the lattice Boltzmann (LB) method, employed for the flow simulation, and the immersed boundary (IB) method, ut…

[Phys. Rev. E 110, 015302] Published Tue Jul 02, 2024

In many natural and industrial applications, turbulent flows encompass some form of dispersed particles. Although this type of multiphase turbulent flow is omnipresent, its numerical modeling has proven to be a remarkably challenging problem. Models that fully resolve the particle phase are computat…

[Phys. Rev. E 110, 015301] Published Mon Jul 01, 2024

We characterize the equilibrium properties of a model of $y$ coupled binary perceptrons in the teacher-student scenario, subject to a suitable cost function, with an explicit ferromagnetic coupling proportional to the Hamming distance between the students' weights. In contrast to recent works, we anal…

[Phys. Rev. E 109, 065313] Published Fri Jun 28, 2024

The understanding of quantum phase transitions in disordered or quasicrystal media is a central issue in condensed matter physics. In this paper we investigate localization properties of the two-dimensional Aubry-André model. We find that the system exhibits self-duality for the transformation betwe…

[Phys. Rev. E 109, 065311] Published Tue Jun 25, 2024

It is widely known that there is no sign problem in path integral Monte Carlo (PIMC) simulations of fermions in one dimension. As far as the author is aware, there is no direct proof of this in the literature. This work shows that the sign of the $N$-fermion antisymmetric free propagator is given by t…

[Phys. Rev. E 109, 065312] Published Tue Jun 25, 2024

Electrons are the carriers of heat and electricity in materials and exhibit abundant transport phenomena such as ballistic, diffusive, and hydrodynamic behaviors in systems with different sizes. The electron Boltzmann transport equation (eBTE) is a reliable model for describing electron transport, b…

[Phys. Rev. E 109, 065310] Published Mon Jun 24, 2024

The impact of nanoscale wall roughness on rarefied gas transport is widely acknowledged, yet the associated scattering dynamics largely remain elusive. In this paper, we develop a scattering kernel for surfaces having nanoscale roughness that distinctly characterizes the two major types of interacti…

[Phys. Rev. E 109, 065308] Published Thu Jun 20, 2024

Magnetic nanoparticles have emerged as a promising approach to improving cancer treatment. However, many nanoparticle designs fail in clinical trials due to a lack of understanding of how to overcome the in vivo transport barriers. To address this shortcoming, we develop a computational model aimed …

[Phys. Rev. E 109, 065309] Published Thu Jun 20, 2024

We present a data-driven reduced-order modeling of the space-charge dynamics for electromagnetic particle-in-cell (EMPIC) plasma simulations based on dynamic mode decomposition (DMD). The dynamics of the charged particles in kinetic plasma simulations such as EMPIC is manifested through the plasma c…

[Phys. Rev. E 109, 065307] Published Mon Jun 17, 2024

In this work, the recent lattice Boltzmann (LB) model with self-tuning equation of state (EOS) [Huang et al., Phys. Rev. E 99, 023303 (2019)] is extended to three dimensions for the simulation of multiphase flows, which is based on the standard three-dimensional 27-velocity lattice and multiple-rel…

[Phys. Rev. E 109, 065306] Published Fri Jun 14, 2024

In this paper we first present the general propagation multiple-relaxation-time lattice Boltzmann (GPMRT-LB) model and obtain the corresponding macroscopic finite-difference (GPMFD) scheme on conservative moments. Then based on the Maxwell iteration method, we conduct the analysis on the truncation …

[Phys. Rev. E 109, 065305] Published Wed Jun 12, 2024

This study overviews and extends a recently developed stochastic finite-temperature Kohn-Sham density functional theory to study warm dense matter using Langevin dynamics, specifically under periodic boundary conditions. The method's algorithmic complexity exhibits nearly linear scaling with system …

[Phys. Rev. E 109, 065304] Published Tue Jun 11, 2024

We formulated two phase-field models to compute interfacial compositions, characterized by their high computational accuracy and efficiency. The inaugural model utilizes convergence calculations to fulfill the equal diffusion potential condition, while the subsequent model obviates the need for such…

[Phys. Rev. E 109, 065303] Published Mon Jun 10, 2024

Anisotropic particles are often encountered in different fields of soft matter and complex fluids. In this work, we present an implementation of the coupled hydrodynamics of solid ellipsoidal particles and the surrounding fluid using the lattice Boltzmann method. A standard link-based mechanism is u…

[Phys. Rev. E 109, 065302] Published Fri Jun 07, 2024

Annealing algorithms such as simulated annealing and population annealing are widely used both for sampling the Gibbs distribution and solving optimization problems (i.e., finding ground states). For both statistical mechanics and optimization, additional parameters beyond temperature are often need…

[Phys. Rev. E 109, 065301] Published Thu Jun 06, 2024

Literature studies of the lattice Boltzmann method (LBM) demonstrate hydrodynamics beyond the continuum limit. This includes exact analytical solutions to the LBM, for the bulk velocity and shear stress of Couette flow under diffuse reflection at the walls through the solution of equivalent moment e…

[Phys. Rev. E 109, 055305] Published Wed May 29, 2024

We study the spectral properties of the Dirichlet-to-Neumann operator and the related Steklov problem in spheroidal domains ranging from a needle to a disk. An explicit matrix representation of this operator for both interior and exterior problems is derived. We show how the anisotropy of spheroids …

[Phys. Rev. E 109, 055306] Published Wed May 29, 2024

This work describes a hybrid predictive framework configured as a coarse-grained surrogate for reconstructing unsteady fluid flows around multiple cylinders of diverse configurations. The presence of cylinders of arbitrary nature causes abrupt changes in the local flow profile while globally exhibit…

[Phys. Rev. E 109, 055304] Published Wed May 22, 2024

Many engineered photonic devices can be decomposed into parts where the material properties are independent of one or more spatial variables. Numerical mode-matching methods are widely used to simulate such photonic devices due to the efficiency gained by treating the separated variables analyticall…

[Phys. Rev. E 109, 055303] Published Mon May 13, 2024

Markov Chain Monte Carlo (MCMC) algorithms are commonly used to sample from graph ensembles. Two graphs are neighbors in the state space if one can be obtained from the other with only a few modifications, e.g., edge rewirings. For many common ensembles, e.g., those preserving the degree sequences o…

[Phys. Rev. E 109, L053301] Published Mon May 13, 2024

The very existence of a phase transition for spin glasses in an external magnetic field is controversial, even in high dimensions. We carry out massive simulations of the Ising spin-glass in a field, in six dimensions (which, according to classical—but not generally accepted—field-theoretical studie…

[Phys. Rev. E 109, 055302] Published Fri May 10, 2024

While the Ising model is most often used to understand physical phenomena, its natural connection to combinatorial reasoning also makes it one of the best models to probe complex systems in science and engineering. We bring a computational lens to the study of Ising models, where our computer-scienc…

[Phys. Rev. E 109, 055301] Published Mon May 06, 2024

A technique for reducing the number of integrals in a Monte Carlo calculation is introduced. For integrations relying on classical or mean-field trajectories with local weighting functions, it is possible to integrate analytically at least half of the integration variables prior to setting up the pa…

[Phys. Rev. E 109, 045308] Published Mon Apr 29, 2024

This paper proposes a strategy to implement the free-energy-based wetting boundary condition within the phase-field lattice Boltzmann method. The greatest advantage of the proposed method is that the implementation of contact line motion can be significantly simplified while still maintaining good a…

[Phys. Rev. E 109, 045307] Published Fri Apr 26, 2024

We develop a new methodology to contract tensor networks within the corner transfer matrix renormalization group approach for a wide range of two-dimensional lattice geometries. We discuss contraction algorithms on the example of triangular, kagome, honeycomb, square-octagon, star, ruby, square-hexa…

[Phys. Rev. E 109, 045305] Published Wed Apr 17, 2024

We present a modification of the Rose-Machta algorithm [N. Rose and J. Machta, Phys. Rev. E 100, 063304 (2019)] and estimate the density of states for a two-dimensional Blume-Capel model, simulating ${10}^5$ replicas in parallel for each set of parameters. We perform a finite-size analysis of the specifi…

[Phys. Rev. E 109, 045306] Published Wed Apr 17, 2024

Metastability in liquids is at the foundation of complex phase transformation dynamics such as nucleation and cavitation. Intermolecular interaction details, beyond the equation of state, and thermal hydrodynamic fluctuations play a crucial role. However, most numerical approaches suffer from a slow…

[Phys. Rev. E 109, 045304] Published Mon Apr 15, 2024

The Lagrange-mesh method is an approximate variational method which provides accurate solutions of the Schrödinger equation for bound-state and scattering few-body problems. The stationary Klein-Gordon equation depends quadratically on the energy. For a central potential, it is solved on a Lagrange-…

[Phys. Rev. E 109, 045303] Published Wed Apr 10, 2024

Auto-ejection of liquid is an important process in engineering applications, and is also very complicated since it involves interface moving, deforming, and jet breaking up. In this work, a theoretical velocity of meniscus at nozzle exit is first derived, which can be used to analyze the critical co…

[Phys. Rev. E 109, 045302] Published Mon Apr 08, 2024

In this paper, we present a hybrid numerical scheme that couples the lattice Boltzmann method (LBM) with the finite difference method (FDM) to model micro-phase-change-material (MPCM) suspensions in a minichannel. Within this framework, the LBM was employed to solve the continuity, momentum, and ene…

[Phys. Rev. E 109, 045301] Published Fri Apr 05, 2024

Real-world water wave fields exhibit significant nonlinear and nonisospectral characteristics, making it challenging to predict their evolution by relying solely on numerical simulation or exact solutions using integrable system theory. Hence, this paper introduces a fast and adaptive method of moda…

[Phys. Rev. E 109, 035303] Published Thu Mar 28, 2024

In this work we propose a modified Chord Length Sampling (CLS) algorithm, endowed with two layers of “memory effects,” aimed at solving particle transport problems in one-dimensional spatially nonhomogeneous Markov media. CLS algorithms are a family of Monte Carlo methods which account for the stoch…

[Phys. Rev. E 109, 035302] Published Tue Mar 19, 2024

In this paper, the underlying problem with the color-gradient (CG) method in handling density-contrast fluids is explored. It is shown that the CG method is not fluid invariant. Based on nondimensionalizing the CG method, a phase-field interface-capturing model is proposed which tackles the difficul…

[Phys. Rev. E 109, 035301] Published Fri Mar 08, 2024

Wave confinement, e.g., in waveguides, gives rise to a huge number of distinct phenomena. Among them, amplitude gain is a recurrent and relevant effect in undulatory processes. Using a general purpose protocol to solve wave equations, the boundary wall method, we demonstrate that for relatively simp…

[Phys. Rev. E 109, 025303] Published Tue Feb 27, 2024

Discovering conservation laws for a given dynamical system is important but challenging. In a theorist setup (differential equations and basis functions are both known), we propose the sparse invariant detector (SID), an algorithm that autodiscovers conservation laws from differential equations. Its…

[Phys. Rev. E 109, L023301] Published Tue Feb 27, 2024

In this paper, a lattice Boltzmann for quasi-incompressible two-phase flows is proposed based on the Cahn-Hilliard phase-field theory, which can be viewed as an improved model of a previous one [Yang and Guo, Phys. Rev. E 93, 043303 (2016)]. The model is composed of two LBE's, one for the Cahn-Hilli…

[Phys. Rev. E 109, 025302] Published Thu Feb 15, 2024

In this paper, we develop a macroscopic finite-difference scheme from the mesoscopic regularized lattice Boltzmann (RLB) method to solve the Navier-Stokes equations (NSEs) and convection-diffusion equation (CDE). Unlike the commonly used RLB method based on the evolution of a set of distribution fun…

[Phys. Rev. E 109, 025301] Published Mon Feb 05, 2024

The utility of quantum computers for simulating lattice gauge theories is currently limited by the noisiness of the physical hardware. Various quantum error mitigation strategies exist to reduce the statistical and systematic uncertainties in quantum simulations via improved algorithms and analysis …

[Phys. Rev. E 109, 015307] Published Fri Jan 26, 2024

Simulations of objects with classical dynamics are in fact a particular version of discrete dynamics, since almost all the classical dynamics simulations in natural science are performed with the use of the simple “leapfrog” or “Verlet” algorithm. It was, however, Newton who in Principia, Propositio…

[Phys. Rev. E 109, 015306] Published Wed Jan 24, 2024

The liquid-vapor phase separation is investigated via lattice Boltzmann simulations in three dimensions. After expressing length and time scales in reduced physical units, we combined data from several large simulations (on ${512}^3$ nodes) with different values of viscosity, surface tension, and tempera…

[Phys. Rev. E 109, 015305] Published Tue Jan 23, 2024

The particles on demand method [Phys. Rev. Lett. 121, 130602 (2018)] was recently formulated with a conservative finite-volume discretization and validated against challenging benchmarks. In this work, we focus on the properties of the reference frame transformation and its implications on the accur…

[Phys. Rev. E 109, 015304] Published Mon Jan 22, 2024

We investigate the usage of a recently introduced noise-cancellation algorithm for Brownian simulations to enhance the precision of measuring transport properties such as the mean-square displacement or the velocity-autocorrelation function. The algorithm is based on explicitly storing the pseudoran…

[Phys. Rev. E 109, 015303] Published Thu Jan 18, 2024

The rational function approximation provides a natural and interpretable representation of response functions such as the many-body spectral functions. We apply the vector fitting (VFIT) algorithm to fit a variety of spectral functions calculated from the Holstein model of electron-phonon interactio…

[Phys. Rev. E 109, 015302] Published Thu Jan 11, 2024

In the present work, the force term is first derived in the spectral multiple-relaxation-time high-order lattice Boltzmann model. The force term in the Boltzmann equation is expanded in the Hermite temperature rescaled central moment space (RCM), instead of the Hermite raw moment space (RM). The con…

[Phys. Rev. E 109, 015301] Published Wed Jan 10, 2024

The population annealing algorithm is a population-based equilibrium version of simulated annealing. It can sample thermodynamic systems with rough free-energy landscapes more efficiently than standard Markov chain Monte Carlo alone. A number of parameters can be fine-tuned to improve the performanc…

[Phys. Rev. E 108, 065309] Published Tue Dec 26, 2023

In this work we consider an efficient algorithm for variational calculations of quantum few-particle systems in $S, P$, and $D$ states of the even parity using all-particle explicitly correlated Gaussian (ECG) basis sets. We primarily focus on the description of states where the dominant configuration c…

[Phys. Rev. E 108, 065308] Published Fri Dec 22, 2023

Using schematic model potentials, we calculate exactly the virial coefficients of a classical gas up to sixth order and use them to calculate the virial expansion of basic thermodynamic quantities such as pressure, density, and compressibility. At sufficiently strong couplings, as expected, the viri…

[Phys. Rev. E 108, 065307] Published Thu Dec 21, 2023

We propose generalized equilibria of a three-dimensional color-gradient lattice Boltzmann model for two-component two-phase flows using higher-order Hermite polynomials. Although the resulting equilibrium distribution function, which includes a sixth-order term on the velocity, is computationally cu…

[Phys. Rev. E 108, 065305] Published Tue Dec 19, 2023

Monte Carlo simulations of path integrals suffer from reduced precision at large times due to undersampling. To address this problem the authors propose a scheme where the sampling trajectories are concentrated in more important regions, and they show the effectiveness of their method with some simple test cases.

[Phys. Rev. E 108, 065306] Published Tue Dec 19, 2023

We present a scalable machine learning (ML) framework for predicting intensive properties and particularly classifying phases of Ising models. Scalability and transferability are central to the unprecedented computational efficiency of ML methods. In general, linear-scaling computation can be achiev…

[Phys. Rev. E 108, 065304] Published Wed Dec 13, 2023

Sampling a diverse set of high-quality solutions for hard optimization problems is of great practical relevance in many scientific disciplines and applications, such as artificial intelligence and operations research. One of the main open problems is the lack of ergodicity, or mode collapse, for typ…

[Phys. Rev. E 108, 065303] Published Mon Dec 11, 2023

The main motivation of this paper is to introduce the ordinal diversity, a symbolic tool able to quantify the degree of diversity of multiple time series. Analytical, numerical, and experimental analyses illustrate the utility of this measure to quantify how diverse, from an ordinal perspective, a s…

[Phys. Rev. E 108, 065302] Published Wed Dec 06, 2023