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We derive a microscopic expression for a quantity $\mu$ that plays the role of chemical potential of Active Brownian Particles (ABPs) in a steady state in the absence of vortices. We show that $\mu$ consists of (i) an intrinsic chemical…

Soft Condensed Matter · Physics 2018-01-17 Siddharth Paliwal , Jeroen Rodenburg , René van Roij , Marjolein Dijkstra

Quantifying correlation and complexity in quantum many-body states is central to advancing theoretical and computational chemistry, physics, and quantum information science. This work introduces a novel framework, mutual correlation, based…

Chemical Physics · Physics 2025-06-10 Francesco A. Evangelista

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

We demonstrate that the machine learning of density functionals allows one to determine simultaneously the equilibrium chemical potential across simulation datasets of inhomogeneous classical fluids. Minimization of a loss function based on…

Soft Condensed Matter · Physics 2026-02-11 Florian Sammüller , Matthias Schmidt

It is crucial to learn the shared structures among functional predictors, as these structures characterize how predictor components exert common effects and, more generally, how predictors are homogeneously associated with the response.…

Methodology · Statistics 2026-04-27 Shuhao Jiao , Hernando Ombao , Ian W. McKeague

As a rough model for the collective motions of cells and organisms we develop here the statistical mechanics of swarms of self-propelled particles. Our approach is closely related to the recently developed theory of active Brownian motion…

Statistical Mechanics · Physics 2007-05-23 Werner Ebeling , Udo Erdmann

We synthesize colloidal particles with various anisotropic shapes and track their orientationally resolved Brownian trajectories using confocal microscopy. An analysis of appropriate short-time correlation functions provides direct access…

Soft Condensed Matter · Physics 2014-01-28 Daniela J. Kraft , Raphael Wittkowski , Borge ten Hagen , Kazem V. Edmond , David J. Pine , Hartmut Löwen

Microswimmers often exhibit surprising patterns due to the nonequilibrium nature of their dynamics. Collectively, suspensions of microswimmers appear as a liquid whose properties set it apart from its passive counterpart. To understand the…

Soft Condensed Matter · Physics 2019-05-22 Fabian Jan Schwarzendahl , Marco G. Mazza

Active learning methods, like uncertainty sampling, combined with probabilistic prediction techniques have achieved success in various problems like image classification and text classification. For more complex multivariate prediction…

Machine Learning · Computer Science 2020-03-24 Sima Behpour

Colloidal models with short-range attraction and long range repulsion (SALR) have been extensively studied using theoretical and simulations methods due to their rich and universal equilibrium phase behavior. Using Brownian Dynamics…

Soft Condensed Matter · Physics 2026-05-14 Horacio Serna , José Martín-Roca , Ariel G. Meyra , Eva G. Noya

In this chapter, we discuss recent advances and new opportunities through methods of machine learning for the field of classical density functional theory, dealing with the equilibrium properties of thermal nano- and micro-particle systems…

Statistical Mechanics · Physics 2024-06-12 Alessandro Simon , Martin Oettel

We investigate the accuracy and efficiency of the semiclassical Frozen Gaussian method in describing electron dynamics in real time. Model systems of two soft-Coulomb-interacting electrons are used to study correlated dynamics under…

Chemical Physics · Physics 2015-05-30 Peter Elliott , Neepa T. Maitra

Effective connectivity analysis provides an understanding of the functional organization of the brain by studying how activated regions influence one other. We propose a nonparametric Bayesian approach to model effective connectivity…

Applications · Statistics 2011-07-22 Sourabh Bhattacharya , Ranjan Maitra

We demonstrate that deep learning techniques can be used to predict motility induced phase separation (MIPS) in suspensions of active Brownian particles (ABPs) by creating a notion of phase at the particle level. Using a fully connected…

Soft Condensed Matter · Physics 2020-11-19 Austin R. Dulaney , John F. Brady

Numerical simulations provide key insights into many physical, real-world problems. However, while these simulations are solved on a full 3D domain, most analysis only require a reduced set of metrics (e.g. plane-level concentrations). This…

Computational Physics · Physics 2025-11-27 Tingkai Xue , Chin Chun Ooi , Zhengwei Ge , Fong Yew Leong , Hongying Li , Chang Wei Kang

Complexity of patterns is a key information for human brain to differ objects of about the same size and shape. Like other innate human senses, the complexity perception cannot be easily quantified. We propose a transparent and universal…

Pattern Formation and Solitons · Physics 2020-12-30 Andrey A. Bagrov , Ilia A. Iakovlev , Askar A. Iliasov , Mikhail I. Katsnelson , Vladimir V. Mazurenko

We introduce numerical methods for simulating the diffusive motion of rigid bodies of arbitrary shape immersed in a viscous fluid. We parameterize the orientation of the bodies using normalized quaternions, which are numerically robust,…

Soft Condensed Matter · Physics 2015-10-28 Steven Delong , Florencio Balboa Usabiaga , Aleksandar Donev

Unlike equilibrium systems, active matter is not governed by the conventional laws of thermodynamics. Through a series of analytic calculations and Langevin dynamics simulations, we explore how systems cross over from equilibrium to active…

Soft Condensed Matter · Physics 2018-03-28 Ayhan Duzgun , Jonathan V. Selinger

Active soft bodies can affect their shape through an internal actuation mechanism that induces a deformation. Similar to recent work, this paper utilizes a differentiable, quasi-static, and physics-based simulation layer to optimize for…

Computer Vision and Pattern Recognition · Computer Science 2024-01-29 Lingchen Yang , Byungsoo Kim , Gaspard Zoss , Baran Gözcü , Markus Gross , Barbara Solenthaler

The standard engineering approach to modelling of complex systems is highly compositional. In order to be able to understand (or to control) the behavior of a complex dynamical systems, it is often desirable, if not necessary, to view this…

Systems and Control · Computer Science 2013-07-01 Antoine Girard
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