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Acid-base reactions are ubiquitous in nature. Understanding their mechanisms is crucial in many fields, from biochemistry to industrial catalysis. Unfortunately, experiments only give limited information without much insight into the…

Chemical Physics · Physics 2022-06-08 Emanuele Grifoni , GiovanniMaria Piccini , Michele Parrinello

We consider mixtures of two species of spherical colloidal particles that differ in their hydrodynamic radii, but are otherwise identical, in the presence of an external field. Since the particle-particle and particle-field interactions are…

Soft Condensed Matter · Physics 2018-09-26 André S. Nunes , Akshat Gupta , Nuno A. M. Araújo , Margarida M. Telo da Gama

Plastic deformation In crystalline materials is controlled by the motion and interactions of dislocations [AND 17]. Discrete Dislocation Dynamics (DDD) simulations have now existed for about 25 years to investigate plastic flow at the…

Materials Science · Physics 2020-01-07 Sylvain Queyreau

Many-body dissipative particle dynamics (MDPD) offers a significant speed-up in the simulation of various systems, including soft matter, in comparison with molecular dynamics (MD) simulations based on Lennard-Jones nteractions, which is…

Soft Condensed Matter · Physics 2025-06-09 Natalia Kramarz , Luís H. Carnevale , Panagiotis E. Theodorakis

An equation for the reduced density matrix which describes a free particle, that is interacting with a linearly dissipative medium, is derived using the total Hamiltonian, and without resorting to any artificial model. A Master equation is…

Statistical Mechanics · Physics 2007-05-23 W. H. Richardson

The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…

Chemical Physics · Physics 2013-12-16 Wei Feng , Luting Xu , Xin-Qi Li , Weihai Fang

Active Brownian particles (ABPs) function as self-driving agents that display non-equilibrium behavior through their pairwise interactions which lead to phase separation and vortex patterns in both soft matter and living systems. A…

Soft Condensed Matter · Physics 2025-09-09 Sadra Saremi , Amirhossein Ahmadkhan Kordbacheh

Quantum trajectory techniques have been used in the theory of open systems as a starting point for numerical computations and to describe the monitoring of a quantum system in continuous time. Here we extend this technique and use it to…

Quantum Physics · Physics 2026-05-05 Alberto Barchielli

The concept of quasiparticles -- long-lived low-energy particle-like excitations -- has become a keystone of condensed quantum matter, where it explains a variety of emergent many-body phenomena, such as superfluidity and superconductivity.…

Soft Condensed Matter · Physics 2023-05-03 Imran Saeed , Hyuk Kyu Pak , Tsvi Tlusty

We investigate the behavior of colloidal suspensions with different volume fractions confined between parallel walls under a range of steady shears. We model the particles using molecular dynamics (MD) with full hydrodynamic interactions…

Soft Condensed Matter · Physics 2014-09-18 Frances E. Mackay , Kyle Pastor , Mikko Karttunen , Colin Denniston

We consider the overdamped motion of Brownian particles, interacting via particle exclusion, in an external potential that varies with time and space. We show that periodic potentials that maintain specific position-dependent phase…

Statistical Mechanics · Physics 2011-05-09 Debasish Chaudhuri , Abhishek Dhar

Mesoscale phenomena -- involving a level of description between the finest atomistic scale and the macroscopic continuum -- can be studied by a variation on the usual atomistic-level molecular dynamics (MD) simulation technique. In…

Chemical Physics · Physics 2015-06-19 Keng-Hua Lin , Brad Lee Holian , Timothy C. Germann , Alejandro Strachan

Continuum dislocation dynamics (CDD) represents the evolution of systems of curved and connected dislocation lines in terms of density-like field variables which include the volume density of loops (or 'curvature density') as an additional…

Materials Science · Physics 2023-01-04 Xi Luo , Michael Zaiser

We revisit the problem of diffusion in a driven system consisting of an inertial Brownian particle moving in a symmetric periodic potential and subjected to a symmetric time-periodic force. We reveal parameter domains in which diffusion is…

Statistical Mechanics · Physics 2022-11-23 I. G. Marchenko , A. Zhiglo , V. Aksenova , V. Tkachenko , I. I. Marchenko , J. Łuczka , J. Spiechowicz

We develop a semi-classical method to simulate the motion of atoms in a dissipative optical lattice. Our method treats the internal states of the atom quantum mechanically, including all nonadiabatic couplings, while position and momentum…

Atomic Physics · Physics 2009-11-11 S. Jonsell , C. M. Dion , M. Nylén , S. J. H. Petra , P. Sjölund , A. Kastberg

Topological states of fermionic matter can be induced by means of a suitably engineered dissipative dynamics. Dissipation then does not occur as a perturbation, but rather as the main resource for many-body dynamics, providing a targeted…

Quantum Physics · Physics 2015-06-15 C. -E. Bardyn , M. A. Baranov , C. V. Kraus , E. Rico , A. Imamoglu , P. Zoller , S. Diehl

The diffusion coefficient--a measure of dissipation, and the entropy--a measure of fluctuation are found to be intimately correlated in many physical systems. Unlike the fluctuation dissipation theorem in linear response theory, the…

Statistical Mechanics · Physics 2021-03-25 Yi Liao , Xiao-Bo Gong

We consider a one-dimensional gas of hard rods, one of the simplest examples of an interacting integrable model. It is well known that the hydrodynamics of such integrable models can be understood by viewing the system as a gas of…

Statistical Mechanics · Physics 2025-10-23 Seema Chahal , Indranil Mukherjee , Abhishek Dhar , Herbert Spohn , Anupam Kundu

A classical description of the dynamics of a dissipative charged-particle fluid in a quadrupole-like device is developed. It is shown that the set of the classical fluid equations contains the same information as a complex function…

Quantum Physics · Physics 2009-11-07 S. De Nicola , R. Fedele , V. I. Man'ko

We develop a data-driven characterization of the pilot-wave hydrodynamic system in which a bouncing droplet self-propels along the surface of a vibrating bath. We consider drop motion in a confined one-dimensional geometry, and apply the…

Fluid Dynamics · Physics 2022-10-14 J. Nathan Kutz , Andre Nachbin , Peter J. Baddoo , John W. M. Bush