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A recently formulated description of homogeneous nucleation for Brownian particles in the over-damped limit based on fluctuating hydrodynamics is used to determine the nucleation pathway, characterized as the most likely path (MLP), for the…

Soft Condensed Matter · Physics 2012-10-18 James F. Lutsko

We present a novel method for the accurate numerical determination of the phase behavior of fluid mixtures having large particle size asymmetries. By incorporating the recently developed geometric cluster algorithm within a restricted Gibbs…

Soft Condensed Matter · Physics 2007-05-23 Jiwen Liu , Nigel B. Wilding , Erik Luijten

Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini--Kossakowski--Sudarshan--Lindblad (GKSL) equation uniquely characterizes Markovian CPTP evolution, many physical platforms…

Quantum Physics · Physics 2026-03-05 Bo Peng , Yu Zhang

The effective dynamics of a colloidal particle immersed in a complex medium is often described in terms of an overdamped linear Langevin equation for its velocity with a memory kernel which determines the effective (time-dependent) friction…

Statistical Mechanics · Physics 2022-10-05 U. Basu , V. Démery , A. Gambassi

Mathematical models of protein-protein dynamics, such as the heterodimer model, play a crucial role in understanding many physical phenomena. This model is a system of two semilinear parabolic partial differential equations describing the…

Numerical Analysis · Mathematics 2024-08-22 Paola F. Antonietti , Francesca Bonizzoni , Mattia Corti , Agnese Dall'Olio

Liquid-liquid phase separation has emerged as one of the important paradigms in the chemical physics as well as biophysics of charged macromolecular systems. We elucidate an equilibrium phase separation mechanism based on charge regulation,…

Soft Condensed Matter · Physics 2020-12-25 Arghya Majee , Markus Bier , Ralf Blossey , Rudolf Podgornik

The ability to design molecules while preserving similarity to a target molecule and/or property is crucial for various applications in drug discovery, chemical design, and biology. We introduce in this paper an efficient training-free…

Machine Learning · Computer Science 2025-11-18 Jiri Navratil , Jarret Ross , Payel Das , Youssef Mroueh , Samuel C Hoffman , Vijil Chenthamarakshan , Brian Belgodere

We introduce a simple physical picture to explain the process of molecular sorting, whereby specific proteins are concentrated and distilled into submicrometric lipid vesicles in eukaryotic cells. To this purpose, we formulate a model based…

Balanced neural networks -- in which excitatory and inhibitory inputs compensate each other on average -- give rise to a dynamical phase dominated by fluctuations called asynchronous state, crucial for brain functioning. However, structural…

Statistical Mechanics · Physics 2024-03-05 Jorge Pretel , Victor Buendía , Joaquín J. Torres , Miguel A. Muñoz

We report that protein confinement within nanoscopic vesicular compartments corresponds to a liquid-liquid phase transition with the protein/water within vesicle lumen interacting very differently than in bulk. We show this effect leads to…

In this paper we first describe the class of log-Gaussian Cox processes (LGCPs) as models for spatial and spatio-temporal point process data. We discuss inference, with a particular focus on the computational challenges of likelihood-based…

Methodology · Statistics 2013-12-24 Peter J. Diggle , Paula Moraga , Barry Rowlingson , Benjamin M. Taylor

We develop a theory of aggregation using statistical mechanical methods. An example of a complicated aggregation system with several levels of structures is peptide/protein self-assembly. The problem of protein aggregation is important for…

Biomolecules · Quantitative Biology 2023-07-19 John S. Schreck , Jian-Min Yuan

We present a theoretical framework to model the electric response of cell aggregates. We establish a coarse representation for each cell as a combination of membrane and cytoplasm dipole moments. Then we compute the effective conductivity…

Computational Engineering, Finance, and Science · Computer Science 2020-08-28 Pouria A. Mistani , Samira Pakravan , Frederic G. Gibou

Partial observations of continuous time-series dynamics at arbitrary time stamps exist in many disciplines. Fitting this type of data using statistical models with continuous dynamics is not only promising at an intuitive level but also has…

Machine Learning · Computer Science 2021-10-29 Ruizhi Deng , Marcus A. Brubaker , Greg Mori , Andreas M. Lehrmann

This paper deals with uncertainty propagation of general stochastic hybrid systems (GSHS) where the continuous state space is a compact Lie group. A computational framework is proposed to solve the Fokker-Planck (FP) equation that describes…

Optimization and Control · Mathematics 2022-03-08 Weixin Wang , Taeyoung Lee

Liquid-liquid phase separation is now recognized as a common mechanism for regulating enzyme activity in cells. Insights from studies in cells are complemented by in vitro studies aimed at developing better understanding of mechanisms…

Biomolecules · Quantitative Biology 2020-10-23 Brian G. O'Flynn , Tanja Mittag

In many biological systems, the curvature of the surfaces cells live on influence their collective properties. Curvature should likewise influence the behavior of active colloidal particles. We show using molecular simulation of…

Soft Condensed Matter · Physics 2022-02-25 Philipp W. A. Schönhöfer , Sharon C. Glotzer

Protein-protein interactions are of great importance in biochemical processes. Accurate prediction of protein-protein interaction sites (PPIs) is crucial for our understanding of biological mechanism. Although numerous approaches have been…

Quantitative Methods · Quantitative Biology 2023-09-26 Jiaxing Guo , Xuening Zhu , Zixin Hu , Xiaoxi Hu

Polymer mixtures fractionate between phases depending on their molecular weight. Consequently, by varying solvent conditions, a polydisperse polymer sample can be separated between phases so as to achieve a particular molecular weight…

Soft Condensed Matter · Physics 2026-04-10 J. Pedro de Souza , William M. Jacobs , Howard A. Stone
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