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The properties of polymer liquids on hard and soft substrates are investigated by molecular dynamics simulation of a coarse-grained bead-spring model and dynamic single-chain-in-mean-field (SCMF) simulations of a soft, coarse-grained…

Soft Condensed Matter · Physics 2015-05-18 F. Léonforte , J. Servantie , C. Pastorino , M. Müller

We combine power functional theory and machine learning to study non-equilibrium overdamped many-body systems of colloidal particles at the level of one-body fields. We first sample in steady state the one-body fields relevant for the…

Soft Condensed Matter · Physics 2024-10-16 Toni Zimmerman , Florian Sammüller , Sophie Hermann , Matthias Schmidt , Daniel de las Heras

We review briefly the concept of colloidal dispersions, their general properties and some of their most important applications, as well as the basic molecular interactions that give rise to their properties in equilibrium. Similarly, we…

Soft Condensed Matter · Physics 2015-09-28 R. Lopez-Esparza , M. A. Balderas Altamirano , E. Pérez , A. Gama Goicochea

Brownian dynamics simulations are an increasingly popular tool for understanding spatially-distributed biochemical reaction systems. Recent improvements in our understanding of the cellular environment show that volume exclusion effects are…

Chemical Physics · Physics 2017-09-13 Stephen Smith , Ramon Grima

Several physical systems in condensed matter have been modeled approximating their constituent particles as hard objects. The hard spheres model has been indeed one of the cornerstones of the computational and theoretical description in…

Computational Physics · Physics 2015-05-13 Cristiano De Michele

Real-life control tasks involve matters of various substances---rigid or soft bodies, liquid, gas---each with distinct physical behaviors. This poses challenges to traditional rigid-body physics engines. Particle-based simulators have been…

Machine Learning · Computer Science 2019-04-19 Yunzhu Li , Jiajun Wu , Russ Tedrake , Joshua B. Tenenbaum , Antonio Torralba

We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…

Materials Science · Physics 2007-05-23 Thorsten Poeschel , Volkhard Buchholtz

High-dimensional simulation optimization is notoriously challenging. We propose a new sampling algorithm that converges to a global optimal solution and suffers minimally from the curse of dimensionality. The algorithm consists of two…

Machine Learning · Statistics 2021-07-21 Liang Ding , Rui Tuo , Xiaowei Zhang

We present a novel simulation technique derived from Brownian cluster dynamics used so far to study the isotropic colloidal aggregation. It now implements the classical Kern-Frenkel potential to describe patchy interactions between…

Soft Condensed Matter · Physics 2015-06-19 Achutha Prabhu , Sujin B. Babu , Jorge S. Dolado , J. -C. Gimel

The motility of living things and synthetic self-propelled objects is often described using Active Brownian particles. To capture the interaction of these particles with their often complex environment, this model can be augmented with…

Statistical Mechanics · Physics 2024-09-06 Sascha Lambert , Merle Duchene , Stefan Klumpp

Modeling membrane interactions with arbitrarily shaped colloidal particles, such as environmental micro- and nanoplastics, at the cell scale remains particularly challenging, owing to the complexity of particle geometries and the need to…

Soft Condensed Matter · Physics 2025-09-15 Didarul Ahasan Redwan , Justin Reicher , Xin Yong

We demonstrate how time-integration of stochastic differential equations (i.e. Brownian dynamics simulations) can be combined with continuum numerical bifurcation analysis techniques to analyze the dynamics of liquid crystalline polymers…

Condensed Matter · Physics 2009-11-07 C. I. Siettos , M. D. Graham , I. G. Kevrekidis

Many stochastic processes in the physical and biological sciences can be modelled as Brownian dynamics with multiplicative noise. However, numerical integrators for these processes can lose accuracy or even fail to converge when the…

Numerical Analysis · Mathematics 2024-04-22 Dominic Phillips , Charles Matthews , Benedict Leimkuhler

The friction and diffusion coefficients of rigid spherical colloidal particles dissolved in a fluid are determined from velocity and force autocorrelation functions by mesoscale hydrodynamic simulations. Colloids with both slip and no-slip…

Soft Condensed Matter · Physics 2016-03-10 Mario Theers , Elmar Westphal , Gerhard Gompper , Roland G. Winkler

A novel parallel simulation algorithm on the GPU, implemented in CUDA and C++, is presented for the simulation of Brownian particles that display excluded volume repulsion and interact with long and short range forces. When an explicit…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-04 Francisco Carter , Nancy Hitschfeld , Cristóbal Navarro , Rodrigo Soto

We examine the behavior of $n$ Brownian particles diffusing on the real line with bounded, measurable drift and bounded, piecewise continuous diffusion coefficients that depend on the current configuration of particles. Sufficient…

Probability · Mathematics 2010-10-19 Tomoyuki Ichiba , Ioannis Karatzas

Brownian motion is a central scientific paradigm. Recently, due to increasing efforts and interests towards miniaturization and small-scale physics or biology, the effects of confinement on such a motion have become a key topic of…

Statistical Mechanics · Physics 2023-03-13 Elodie Millan , Maxime Lavaud , Yacine Amarouchene , Thomas Salez

Although the dynamics of colloids in the vicinity of a solid interface has been widely characterized in the past, experimental studies of Brownian diffusion close to an air-water interface are rare and limited to particle-interface gap…

Soft Condensed Matter · Physics 2022-11-11 Stefano Villa , Christophe Blanc , Abdallah Daddi-Moussa-Ider , Antonio Stocco , Maurizio Nobili

Colloids have a striking relevance in a wide spectrum of industrial formulations, spanning from personal care products to protective paints. Their behaviour can be easily influenced by extremely weak forces, which disturb their…

Soft Condensed Matter · Physics 2018-06-14 Daniel Corbett , Alejandro Cuetos , Matthew Dennison , Alessandro Patti

We consider two different models for colloidal particles. In the first model, we consider their free motion to be diffusion while in the second model we take it to be integrated Ornstein-Uhlenbeck process. In both models, we derived…

Probability · Mathematics 2016-10-31 Guolong Li