Physical Review E (Computational physics)

Author(s): Wen-Xuan Yuan and Rui Guo

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

Author(s): Ethan C. McGarrigle, Hector D. Ceniceros, and Glenn H. Fredrickson

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

Author(s): Adil A. Gangat and Johnnie Gray

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

Author(s): L. Brodoloni and S. Pilati

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

Author(s): Oleg Ilyin

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

Author(s): Yunuo Xiong, Shujuan Liu, and Hongwei Xiong

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

Author(s): Yakun Dong, Kamran Sadiq, Otmar Scherzer, and John C. Schotland

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

Author(s): Qizheng Sun, Xiaojing Liu, Xiang Chai, Hui He, Lianjie Wang, Bin Zhang, and Tengfei Zhang

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

Author(s): Gabe Schumm, Sibin Yang, and Anders W. Sandvik

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

Author(s): Mikhail Gennadievich Belov and Vladislav Gennadievich Malyshkin

The problem of an optimal mapping between Hilbert spaces IN of |ψ〉 and OUT of |ϕ〉 based on a set of wavefunction measurements (within a phase) ψl→ϕl, l=1,⋯,M, is formulated as an optimization problem maximizing the total fidelity ∑l=1Mω(l)|〈ϕl|U|ψl〉|2 subject to probability preservation constraints …

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

Author(s): Gusten Isfeldt, Fredrik Lundell, and Jakob Wohlert

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

Author(s): Y. Ohno, A. Del Maestro, and T. I. Lakoba

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

Author(s): K. Uzawa and K. Hagino

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

Author(s): Amin Rahmat, Berk Altunkeyik, Mostafa Safdari Shadloo, and Tom Montenegro-Johnson

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

Author(s): Mahyar Madadi, Joseph T. Johnson, Yong Shi, and John E. Sader

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

Author(s): Zhipeng Chang, Jerry Zhijian Yang, and Xiaofei Zhao

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

Author(s): Pieter H. W. van der Hoek, Angelo Rosa, and Ralf Everaers

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

Author(s): S. A. Hosseini, A. Bhadauria, and I. V. Karlin

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

Author(s): Greivin Alfaro Miranda, Leticia F. Cugliandolo, and Marco Tarzia

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

Author(s): Ian Seet, Thomas E. Ouldridge, and Jonathan P. K. Doye

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