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We present the results of a self-consistent, unified molecular dynamics study of simple model heteropolymers in the continuum with emphasis on folding, sequence design and the determination of the interaction parameters of the effective…

Statistical Mechanics · Physics 2009-10-31 Cecilia Clementi , Amos Maritan , Jayanth R. Banavar

We present a numerical study of the dynamics of a non-ideal fluid subject to a density-dependent pseudo-potential characterized by a hierarchy of nested attractive and repulsive interactions. It is shown that above a critical threshold of…

Soft Condensed Matter · Physics 2009-11-10 A. Lamura , S. Succi

The atomic-scale response of inhomogeneous fluids at interfaces and surrounding solute particles plays a critical role in governing chemical, electrochemical and biological processes at such interfaces. Classical molecular dynamics…

Materials Science · Physics 2023-11-28 Kamron Fazel , Nima Karimitari , Tanooj Shah , Christopher Sutton , Ravishankar Sundararaman

Hydrophobic interactions provide driving forces for protein folding, membrane formation, and oil-water separation. Motivated by information theory, the poorly understood nonpolar solute interactions in water are investigated. A simple…

chem-ph · Physics 2008-02-03 G. Hummer , S. Garde , A. E. Garcia , A. Pohorille , L. R. Pratt

Selectivity of particles in a region of space can be achieved by applying external potentials to influence the particles in that region. We investigate static and dynamical properties of size selectivity in binary fluid mixtures of two…

Soft Condensed Matter · Physics 2010-01-18 Roland Roth , Markus Rauscher , Andrew J. Archer

It is demonstrated by molecular dynamics simulations that liquids interacting via the Buckingham potential are strongly correlating, i.e., have regions of their phase diagram where constant-volume equilibrium fluctuations in the virial and…

Soft Condensed Matter · Physics 2012-03-27 Arno A. Veldhorst , Lasse Bøhling , Jeppe C. Dyre , Thomas B. Schrøder

We present a new method for studying equilibrium properties of interacting fluids in an arbitrary external field. The fluid is composed of monodisperse spherical particles with hard-core repulsion and additional interactions of arbitrary…

Soft Condensed Matter · Physics 2021-03-09 Benaoumeur Bakhti , Gerhard Müller

We present molecular dynamics simulations of aggregation kinetics in a colloidal suspension modeled as a highly asymmetric binary mixture. Starting from a configuration with largely uncorrelated colloidal particles the system relaxes by…

Statistical Mechanics · Physics 2007-05-23 Sorin Bastea

We present a simple model based on a reaction-diffusion equation to explain pattern formation in a multicellular bacterium (Streptomyces). We assume competition for resources as the basic mechanism that leads to pattern formation; in…

Biological Physics · Physics 2007-05-23 M. Bezzi , A. Ciliberto , A. Mengoni

Dynamics of two particles with short range repulsive or attractive interaction is studied numerically in the Harper model. It is shown that interaction leads to appearance of localized states and pure-point spectrum component in the case…

Condensed Matter · Physics 2009-10-28 D. L. Shepelyansky

While the interaction potential between two dipoles residing in a single plane is repulsive, in a system of two vertically adjacent layers of dipoles it changes from repulsive interaction in the long range to attractive interaction in the…

Quantum Gases · Physics 2016-06-29 Kobi Cohen , Maxim Khodas , Boris Laikhtman , Paulo V. Santos , Ronen Rapaport

Condensed ionic systems are described in the framework of a combined approach that takes into account both long-range and short-range interactions. Short-range interaction is expressed in terms of mean potentials and long-range interaction…

Statistical Mechanics · Physics 2019-10-03 G. Bokun , I. Kravtsiv , M. Holovko , V. Vikhrenko , D. di Caprio

The particles of electrorheological fluids can be modelled as dielectric spheres (DS) immersed in a continuum dielectric. When an external field is applied, polarization charges are induced on the surfaces of the spheres and can be…

Soft Condensed Matter · Physics 2013-12-13 D. Boda , M. Valiskó , I. Szalai

We study the existence of target patterns in oscillatory media with weak local coupling and in the presence of an impurity, or defect. We model these systems using a viscous eikonal equation posed on the plane, and represent the defect as a…

Analysis of PDEs · Mathematics 2023-07-05 Gabriela Jaramillo

We study the behaviour of interacting self-propelled particles, whose self-propulsion speed decreases with their local density. By combining direct simulations of the microscopic model with an analysis of the hydrodynamic equations obtained…

Statistical Mechanics · Physics 2012-06-25 F. D. C. Farrell , J. Tailleur , D. Marenduzzo , M. C. Marchetti

We solve a class of attractor neural network models with a mixture of 1D nearest-neighbour and infinite-range interactions, which are of a Hebbian-type form. Our solution is based on a combination of mean-field methods, transfer matrices…

Disordered Systems and Neural Networks · Physics 2009-10-31 N. S. Skantzos , A. C. C. Coolen

We present new method for studying the equilibrium properties of interacting fluids in an arbitrary external filed. The method is valid in any dimension and it yields an exact results in one dimension. Using this approach, we derive a…

Soft Condensed Matter · Physics 2017-02-17 Benaoumeur Bakhti

Intermolecular correlations in liquid acetonitrile (CH3CN) have been revisited by calculating orientational correlation functions. In the present approach, hydrogen atoms are included, so that a concept applicable for molecules of (nearly)…

Chemical Physics · Physics 2019-06-12 Szilvia Pothoczki , László Pusztai

We study the effective interaction between differently charged polyelectrolyte-colloid complexes in electrolyte solutions via Monte Carlo simulations. These complexes are formed when short and flexible polyelectrolyte chains adsorb onto…

Soft Condensed Matter · Physics 2010-05-05 D. Truzzolillo , F. Bordi , F. Sciortino , S. Sennato

In this study we formulate a theoretical approach, based on a Boltzmann-like kinetic equation, to describe pattern formation in two-dimensional mixtures of microtubular filaments and molecular motors. Following the previous work by Aranson…

Soft Condensed Matter · Physics 2018-02-28 Ivan Maryshev , Davide Marenduzzo , Andrew B. Goryachev , Alexander Morozov