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A multi-scale framework was recently proposed for more realistic molecular dynamics simulations in continuum solvent models by coupling a molecular mechanics treatment of solute with a fluid mechanics treatment of solvent, where we…

Biological Physics · Physics 2018-01-17 Li Xiao , Ray Luo

Compared to the current wireless communication systems, millimeter wave (mm-Wave) promises a wide range of spectrum. As viable alternatives to existing mm-Wave channel models, various map-based channel models with different modeling methods…

Information Theory · Computer Science 2019-07-11 Yeon-Geun Lim , Yae Jee Cho , MinSoo Sim , Younsun Kim , Chan-Byoung Chae , Reinaldo A. Valenzuela

The separation between molecular and mesoscopic length and time scales poses a severe limit to molecular simulations of mesoscale phenomena. We describe a hybrid multiscale computational technique which address this problem by keeping the…

Fluid Dynamics · Physics 2009-11-13 G. De Fabritiis , R. Delgado-Buscalioni , P. V. Coveney

High-dimensional/high-fidelity nonlinear dynamical systems appear naturally when the goal is to accurately model real-world phenomena. Many physical properties are thereby encoded in the internal differential structure of these resulting…

Numerical Analysis · Mathematics 2024-03-14 Peter Benner , Serkan Gugercin , Steffen W. R. Werner

Discrete-time modeling of acoustic, mechanical and electrical systems is a prominent topic in the musical signal processing literature. Such models are mostly derived by discretizing a mathematical model, given in terms of ordinary or…

Using simple kinematics, we propose a general theory of linear wave interactions between the interfacial waves of a two dimensional (2D), inviscid, multi-layered fluid system. The strength of our formalism is that one does not have to…

Fluid Dynamics · Physics 2017-04-05 Anirban Guha , Firdaus E. Udwadia

This paper concerns the construction and analysis of a numerical scheme for a mixed discrete-continuous fragmentation equation. A finite volume scheme is developed, based on a conservative formulation of a truncated version of the…

Numerical Analysis · Mathematics 2019-02-06 Graham Baird , Endre Süli

We investigate on a unified basis tunneling and vibrational relaxation in driven dissipative multistable systems described by their N lowest lying unperturbed levels. By use of the discrete variable representation we derive a set of coupled…

Quantum Physics · Physics 2009-10-31 M. Thorwart , M. Grifoni , P. Hänggi

Dynamical maps describe general transformations of the state of a physical system, and their iteration can be interpreted as generating a discrete time evolution. Prime examples include classical nonlinear systems undergoing transitions to…

Quantum Physics · Physics 2013-11-19 P. Schindler , M. Müller , D. Nigg , J. T. Barreiro , E. A. Martinez , M. Hennrich , T. Monz , S. Diehl , P. Zoller , R. Blatt

We consider a multiscale approach based on immersed methods for the efficient computational modeling of tissues composed of an elastic matrix (in two or three-dimensions) and a thin vascular structure (treated as a co-dimension two…

Numerical Analysis · Mathematics 2021-11-18 Luca Heltai , Alfonso Caiazzo

Digital modeling of the microstructure is important for studying the physical and transport properties of porous media. Multiscale modeling for porous media can accurately characterize macro-pores and micro-pores in a large-FoV (field of…

Image and Video Processing · Electrical Eng. & Systems 2023-05-03 Pengcheng Yan , Qizhi Teng , Xiaohai He , Zhenchuan Ma , Ningning Zhang

We consider a continuum mathematical model of biological tissue formation inspired by recent experiments describing thin tissue growth in 3D-printed bioscaffolds. The continuum model involves a partial differential equation describing the…

Tissues and Organs · Quantitative Biology 2021-11-23 Maud El-Hachem , Scott W McCue , Matthew J Simpson

This article presents new algorithms for massively parallel granular dynamics simulations on distributed memory architectures using a domain partitioning approach. Collisions are modelled with hard contacts in order to hide their…

Computational Engineering, Finance, and Science · Computer Science 2015-01-26 Tobias Preclik , Ulrich Rüde

We analytically demonstrate that strong system-bath coupling separates the relaxation dynamics of a dissipative quantum system into two distinct regimes: a short-time dynamics that, as expected, accelerates with increasing coupling to the…

Quantum Physics · Physics 2025-12-22 Brett Min , Matthew Gerry , Dvira Segal

The predictions of the mode-coupling theory of the glass transition (MCT) for the tagged-particle density-correlation functions and the mean-squared displacement curves are compared quantitatively and in detail to results from Newtonian-…

Statistical Mechanics · Physics 2009-11-10 Th. Voigtmann , A. M. Puertas , M. Fuchs

In this work, we present an efficient way to decouple the multicontinuum problems. To construct decoupled schemes, we propose Implicit-Explicit time approximation in general form and study them for the fine-scale and coarse-scale space…

Numerical Analysis · Mathematics 2024-04-26 Maria Vasilyeva

When simulating multiscale systems, where some fields cannot be fully prescribed despite their effects on the simulation's accuracy, closure models are needed. This phenomenon is observed in turbulent fluid dynamics, where Large Eddy…

Fluid Dynamics · Physics 2025-12-01 Eduardo Vital , Jean-Marc Gratien , Yassine Ayoun , Thibault Faney , Julien Bohbot

Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…

New implicit and implicit-explicit time-stepping methods for the wave equation in second-order form are described with application to two and three-dimensional problems discretized on overset grids. The implicit schemes are single step,…

Numerical Analysis · Mathematics 2024-04-24 Allison M. Carson , Jeffrey W. Banks , William D. Henshaw , Donald W. Schwendeman

The tacnode process is a universal determinantal point process arising from non-intersecting particle systems and tiling problems. It is the aim of this work to explore the integrable structure and large gap asymptotics for the gap…

Mathematical Physics · Physics 2023-07-13 Luming Yao , Lun Zhang
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