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Computational Physics papers — page 169

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Massively Parallel Transport Sweeps on Meshes with Cyclic Dependencies
When solving the first-order form of the linear Boltzmann equation, a common misconception is that the matrix-free computational method of ``sweeping the mesh", used in conjunction with the…
Jan I C Vermaak, Jean C Ragusa, Jim E MorelApr 4, 2020
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Towards empirical force fields that match experimental observables
Biomolecular force fields have been traditionally derived based on a mixture of reference quantum chemistry data and experimental information obtained on small fragments. However, the possibility to…
Thorben Fröhlking, Mattia Bernetti, Nicola Calonaci et al.Apr 3, 2020
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Hermite spectral method for Fokker-Planck-Landau equation modeling collisional plasma
We propose an Hermite spectral method for the Fokker-Planck-Landau (FPL) equation. Both the distribution functions and the collision terms are approximated by series expansions of the Hermite…
Ruo Li, Yinuo Ren, Yanli WangApr 3, 2020
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Learning physical properties of liquid crystals with deep convolutional neural networks
Machine learning algorithms have been available since the 1990s, but it is much more recently that they have come into use also in the physical sciences. While these algorithms have already proven to…
Higor Y. D. Sigaki, Ervin K. Lenzi, Rafael S. Zola et al.Apr 3, 2020
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Extending the average spectrum method: Grid points sampling and density averaging
Analytic continuation of imaginary time or frequency data to the real axis is a crucial step in extracting dynamical properties from quantum Monte Carlo simulations. The average spectrum method…
Khaldoon Ghanem, Erik KochApr 2, 2020
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Pore-network stitching method: A pore-to-core upscaling approach for multiphase flow
Pore-network modeling is a widely used predictive tool for pore-scale studies in various applications that deal with multiphase flow in porous media. Despite recent improvements to enable…
Amir H. Kohanpur, Albert J. ValocchiApr 1, 2020
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Solving equations of motion by using Monte Carlo Metropolis: Novel method via Random Paths and Maximum Caliber Principle
A permanent challenge in physics and other disciplines is to solve partial differential equations, thereby a beneficial investigation is to continue searching for new procedures to do it. In this…
Diego González, Sergio Davis, Sergio CurilefApr 1, 2020
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Theoretical investigation on magnetic property of monolayer CrI3 from microscale to macroscale
Magnetic two-dimensional (2D) materials have received tremendous attention recently due to its potential application in spintronics and other magnetism related fields. To our knowledge, five kinds of…
Songrui Wei, Dingchen Wang, Yadong Wei et al.Apr 1, 2020
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A Coupled lattice Boltzmann-Multiparticle collision method for multi-resolution hydrodynamics
In this work we discuss the coupling of two mesoscopic approaches for fluid dynamics, namely the lattice Boltzmann method (LB) and the multiparticle collision dynamics (MPCD)…
Andrea Montessori, Adriano Tiribocchi, Marco Lauricella et al.Apr 1, 2020
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Machine Learning for Multi-fidelity Scale Bridging and Dynamical Simulations of Materials
Molecular dynamics (MD) is a powerful and popular tool for understanding the dynamical evolution of materials at the nano and mesoscopic scales. There are various flavors of MD ranging from the high…
Rohit Batra, Subramanian SankaranarayananApr 1, 2020
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GPU molecular dynamics: Algorithms and performance
A previous study of MD algorithms designed for GPU use is extended to cover more recent developments in GPU architecture. Algorithm modifications are described, together with extensions to more…
D C RapaportMar 31, 2020
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Moment-Preserving and Mesh-Adaptive Reweighting Method for Rare-Event Sampling in Monte-Carlo Algorithms
We present novel roulette schemes for rare-event sampling that are both structure-preserving and unbiased. The boundaries where Monte Carlo markers are split and deleted are placed automatically and…
C. U. Schuster, T. Johnson, G. Papp et al.Mar 31, 2020
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Numerical Methods for Flow in Fractured Porous Media
In this work we present the mathematical models for single-phase flow in fractured porous media. An overview of the most common approaches is considered, which includes continuous fracture models and…
Luca Formaggia, Anna Scotti, Alessio FumagalliMar 31, 2020
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Floating Potential Of Spherical Dust In Collisionless Magnetised Plasmas
Determining the equilibrium charge of conducting spheres in plasmas is important for interpreting Langmuir probe measurements, plasma surface interactions and dust particle behaviour. The Monte Carlo…
L. M. Simons, M. CoppinsMar 31, 2020
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Technologies for supporting high-order geodesic mesh frameworks for computational astrophysics and space sciences
Many important problems in astrophysics, space physics, and geophysics involve flows of (possibly ionized) gases in the vicinity of a spherical object, such as a star or planet. The geometry of such…
V. Florinski, D. S. Balsara, S. Garain et al.Mar 30, 2020
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Computational Methods for Single-Particle Cryo-EM
Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for elucidating the three-dimensional structure of proteins and other biologically significant complexes at…
Amit Singer, Fred J. SigworthMar 30, 2020
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Detecting Symmetries with Neural Networks
Identifying symmetries in data sets is generally difficult, but knowledge about them is crucial for efficient data handling. Here we present a method how neural networks can be used to identify…
Sven Krippendorf, Marc SyvaeriMar 30, 2020
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Curl-free positive definite form of time-harmonic Maxwells equations well-suitable for iterative numerical solving
A new form of time-harmonic Maxwells equations is developed and proposed for numerical modeling. It is written for the magnetic field strength, electric displacement, vector potential and the scalar…
Vladimir E. Moiseenko, Olov AgrenMar 28, 2020
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Self-similar orbit-averaged Fokker-Planck equation for isotropic spherical dense clusters (i) accurate pre-collapse solution
This is the first paper of a series of our works on the self-similar orbit-averaged Fokker-Planck (OAFP) equation for distribution function of stars in dense isotropic star clusters. At the late…
Yuta ItoMar 27, 2020
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Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning
Computational study of molecules and materials from first principles is a cornerstone of physics, chemistry, and materials science, but limited by the cost of accurate and precise simulations. In…
Marcel F. Langer, Alex Goeßmann, Matthias RuppMar 26, 2020
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An immersed interface-lattice Boltzmann method for fluid-structure interaction
An immersed interface-lattice Boltzmann method (II-LBM) is developed for modelling fluid-structure systems. The key element of this approach is the determination of the jump conditions that are…
Jianhua Qin, Ebrahim M. Kolahdouz, Boyce E. GriffithMar 26, 2020
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Effective Medium Transformation: the Case of Stratified Magnetic Structures
Effective medium theory replaces a given fine-scale heterostructure with a homogeneous one in such a way that the physically measurable quantities, e.g. reaction fields and losses, remain…
Markus Schöbinger, Karl Hollaus, Igor TsukermanMar 26, 2020
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Spin textures in chiral magnetic monolayers with suppressed nearest-neighbor exchange
High tunability of two dimensional magnetic materials (by strain, gating, heterostructuring or otherwise) provides unique conditions for studying versatile magnetic properties and controlling…
Raí M. Menezes, Clécio C. de Souza Silva, Milorad V. MiloševićMar 26, 2020
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An Accelerated Surface Integral Equation Method for the Electromagnetic Modeling of Dielectric and Lossy Objects of Arbitrary Conductivity
Surface integral equation (SIE) methods are of great interest for the numerical solution of Maxwell's equations in the presence of homogeneous objects. However, existing SIE algorithms have…
Shashwat Sharma, Piero TriverioMar 25, 2020
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Geometric effect on near-field heat transfer analysis using efficient graphene and nanotube models
Following the recent research enthusiasm on the effect of geometry on near-field heat transfer (NFHT) enhancement, we present an analysis based on simplified yet highly efficient graphene and…
Kristo Nugraha Lian, Jian-Sheng WangMar 25, 2020
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