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Molecular dynamics (MD)-based path sampling algorithms are a very important class of methods used to study the energetics and kinetics of rare (bio)molecular events. They sample the highly informative but highly unlikely reactive…

Computational Physics · Physics 2025-07-08 Nitin Malapally , Marta Devodier , Giulia Rossetti , Paolo Carloni , Davide Mandelli

Natural phenomena frequently involve a very large number of interacting molecules moving in confined regions of space. Cellular transport by motor proteins is an example of such collective behavior. We derive a deterministic compartmental…

Subcellular Processes · Quantitative Biology 2017-11-01 Yoram Zarai , Michael Margaliot , Anatoly B. Kolomeisky

Active biological systems reside far from equilibrium, dissipating heat even in their steady state, thus requiring an extension of conventional equilibrium thermodynamics and statistical mechanics. In this Letter, we have extended the…

Soft Condensed Matter · Physics 2017-12-22 Dibyendu Mandal , Katherine Klymko , Michael R. DeWeese

In recent years efficient algorithms have been developed for the numerical computation of relativistic single-particle path integrals in quantum field theory. Here, we adapt this "worldline Monte Carlo" approach to the standard problem of…

One of the main unsolved problems of cosmology is how to maximize the extraction of information from nonlinear data. If the data are nonlinear the usual approach is to employ a sequence of statistics (N-point statistics, counting statistics…

Cosmology and Nongalactic Astrophysics · Physics 2018-03-07 Uros Seljak , Grigor Aslanyan , Yu Feng , Chirag Modi

We report an approach to obtain effective pair potentials which describe the structure of two-dimensional systems of active Brownian particles. The pair potential is found by an inverse method, which matches the radial distribution function…

Many numerical and learning algorithms rely on the solution of the Monge-Kantorovich problem and Wasserstein distances, which provide appropriate distributional metrics. While the natural approach is to treat the problem as an…

Optimization and Control · Mathematics 2025-12-11 Mohsen Sadr , Peyman Mohajerin Esfahani , Hossein Gorji

We study the thermodynamics of open systems weakly driven out-of-equilibrium by nonconservative and time-dependent forces using the linear regime of stochastic thermodynamics. We make use of conservation laws to identify the potential and…

Statistical Mechanics · Physics 2022-10-13 Danilo Forastiere , Riccardo Rao , Massimiliano Esposito

The stochastic dynamics of an active particle undergoing a constant speed and additionally driven by an overall fluctuating torque is investigated. The random torque forces are expressed by a stochastic differential equation for the angular…

Statistical Mechanics · Physics 2011-12-22 Christian Weber , Paul K. Radtke , Lutz Schimansky-Geier , Peter Hänggi

Controlling the evolution of nonequilibrium systems to minimize dissipated heat or work is a key goal for designing nanodevices, both in nanotechnology and biology. Progress in computing optimal protocols has thus far been limited to either…

Computational Physics · Physics 2022-01-04 Megan C. Engel , Jamie A. Smith , Michael P. Brenner

In equilibrium, the collective behaviour of particles interacting via steep, short-ranged potentials is well captured by the virial expansion of the free energy at low density. Here, we extend this approach beyond equilibrium to the case of…

Soft Condensed Matter · Physics 2023-06-21 Yuting Irene Li , Rosalba Garcia-Millan , Michael E. Cates , Étienne Fodor

Maximum quantum work extraction is generally defined in terms of the ergotropy functional, no matter how experimentally complicated is the implementation of the optimal unitary allowing for it, especially in the case of multipartite…

Quantum Physics · Physics 2025-01-27 Riccardo Castellano , Ranieri Nery , Kyrylo Simonov , Donato Farina

The process of dynamic state estimation (filtering) based on point process observations is in general intractable. Numerical sampling techniques are often practically useful, but lead to limited conceptual insight about optimal…

Machine Learning · Statistics 2016-09-13 Yuval Harel , Ron Meir , Manfred Opper

Quantum thermodynamics is often formulated as a theory with constrained access to operations and resources. In this manuscript, we find a closed formula for the Gaussian ergotropy, i.e. the maximum energy that can be extracted from bosonic…

In this study, we describe a procedure of topology optimization in the framework of the linear Boltzmann equation, implemented using a reference Monte-Carlo particle transport code. This procedure can design complex structures that optimize…

Instrumentation and Detectors · Physics 2019-08-20 Sébastien Chabod

Active particles contain internal degrees of freedom with the ability to take in and dissipate energy and, in the process, execute systematic movement. Examples include all living organisms and their motile constituents such as molecular…

Soft Condensed Matter · Physics 2015-05-18 Sriram Ramaswamy

This paper considers optimal control of dynamical systems which are represented by nonlinear stochastic differential equations. It is well-known that the optimal control policy for this problem can be obtained as a function of a value…

Robotics · Computer Science 2014-05-30 Oktay Arslan , Evangelos Theodorou , Panagiotis Tsiotras

We investigate how the competing presence of a nonuniform motility landscape and an external confining field affects the properties of active particles. We employ the active Ornstein-Uhlenbeck particle (AOUP) model with a periodic swim…

Statistical Mechanics · Physics 2022-03-02 Lorenzo Caprini , Umberto Marini Bettolo Marconi , René Wittmann , Hartmut Löwen

We introduce a single-qubit quantum measurement engine fuelled by backaction energy input. To reduce energetic costs associated with information processing, the measurement outcomes are only used with a prescribed laziness probability in…

Quantum Physics · Physics 2025-06-25 Léa Bresque , Debraj Das , Édgar Roldán

The out of equilibrium nature of active systems can be exploited for the design of information-based engines. We design two types of an active Szilard engine that use a Maxwell daemon to extract work from an active bath composed of…

Soft Condensed Matter · Physics 2022-12-07 P. Malgaretti , H. Stark
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