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Foerster and modified Redfield theories play one of the central roles in the description of excitation energy transfer in molecular systems. However, in the present state, these theories describe only the dynamics of populations of local…

Chemical Physics · Physics 2020-01-29 Anton Trushechkin

We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…

Soft Condensed Matter · Physics 2009-11-11 Sahak Petrosyan , Jean-Francois Briere , David Roundy , T. A. Arias

Suspensions of swimming particles exhibit complex collective behaviors driven by hydrodynamic interactions, showing persistent large-scale flows and long-range correlations. While heavily studied, it remains unclear how such structures…

Soft Condensed Matter · Physics 2025-05-27 Bryce Palmer , Scott Weady , Michael O'Brien , Blakesley Burkhart , Michael J. Shelley

We consider nonlocal curvature functionals associated with positive interaction kernels, and we show that local anisotropic mean curvature functionals can be retrieved in a blow-up limit from them. As a consequence, we prove that the…

Analysis of PDEs · Mathematics 2021-07-01 Annalisa Cesaroni , Valerio Pagliari

A continuum model for a population of self-propelled particles interacting through nematic alignment is derived from an individual-based model. The methodology consists of introducing a hydrodynamic scaling of the corresponding mean-field…

Analysis of PDEs · Mathematics 2015-09-11 Pierre Degond , Angelika Manhart , Hui Yu

The Eulerian perfect-fluid theory is reformulated from its action principle in a pure field-theoretic manner. Conservation of the convective current is no longer imposed by Lin's constraints, but rather adopted as the central idea of the…

High Energy Physics - Theory · Physics 2017-12-07 Taketo Ariki , Pablo A. Morales

We demonstrate theory and computations for finite-energy line defect solutions in an improvement of Ericksen-Leslie liquid crystal theory. Planar director fields are considered in two and three space dimensions, and we demonstrate straight…

Soft Condensed Matter · Physics 2013-01-08 Hossein Pourmatin , Amit Acharya , Kaushik Dayal

A new approach for calculating spectral density functions of strongly correlated electron systems is proposed within the exact diagonalization method of dynamical mean-field theory (DMFT). This approach is based on the analytic continuation…

Strongly Correlated Electrons · Physics 2016-10-05 Song-Jin O , Hak-Chol Pak , Kwang-Il Ryom , Song-Jin Im

Epithelial cell monolayers show remarkable displacement and velocity correlations over distances of ten or more cell sizes that are reminiscent of supercooled liquids and active nematics. We show that many observed features can be described…

Soft Condensed Matter · Physics 2020-04-22 Silke Henkes , Kaja Kostanjevec , J. Martin Collinson , Rastko Sknepnek , Eric Bertin

We revisit two basic Direct Simulation Monte Carlo Methods to model aggregation kinetics and extend them for aggregation processes with collisional fragmentation (shattering). We test the performance and accuracy of the extended methods and…

Numerical Analysis · Mathematics 2022-07-27 A. Kalinov , A. I. Osinsky , S. A. Matveev , W. Otieno , N. V. Brilliantov

We show that the exact exchange-correlation potential of time-dependent density-functional theory displays dynamical step structures that have a spatially non-local and time non-local dependence on the density. Using one-dimensional…

Chemical Physics · Physics 2015-06-12 Peter Elliott , Johanna I. Fuks , Angel Rubio , Neepa T. Maitra

We propose an extension of the Plefka expansion, which is well known for the dynamics of discrete spins, to stochastic differential equations with continuous degrees of freedom and exhibiting generic nonlinearities. The scenario is…

Disordered Systems and Neural Networks · Physics 2017-06-23 Barbara Bravi , Peter Sollich , Manfred Opper

An approach to generalize any kind of collinear functionals in density functional theory to non-collinear functionals is proposed. This approach, for the very first time, satisfies the correct collinear limit for any kind of functionals,…

Quantum Physics · Physics 2023-01-26 Zhichen Pu , Hao Li , Qiming Sun , Ning Zhang , Yong Zhang , Sihong Shao , Hong Jiang , Yiqin Gao , Yunlong Xiao

Nonintegrable systems thermalize, leading to the emergence of fluctuating hydrodynamics. Typically, this hydrodynamics is diffusive. We use the effective field theory (EFT) of diffusion to compute higher-point functions of conserved…

Strongly Correlated Electrons · Physics 2024-02-14 Luca V. Delacretaz , Ruchira Mishra

The simulation of open molecular systems requires explicit or implicit reservoirs of energy and particles. Whereas full atomistic resolution is desired in the region of interest, there is some freedom in the implementation of the…

Computational Physics · Physics 2019-04-26 Luigi Delle Site , Christian Krekeler , John Whittaker , Animesh Agarwal , Rupert Klein , Felix Höfling

We present a family of kernels for analysis of data generated by dynamical systems. These so-called cone kernels feature an explicit dependence on the dynamical vector field operating in the phase-space manifold, estimated empirically…

Dynamical Systems · Mathematics 2014-03-04 Dimitrios Giannakis

We consider the increase of the spatial variance of some inhomogeneous, non-equilibrium density (particles, energy, etc.) in a periodic quantum system of condensed matter-type. This is done for a certain class of initial quantum states…

Statistical Mechanics · Physics 2009-10-23 Robin Steinigeweg , Hannu Wichterich , Jochen Gemmer

The mechanics of a foam typically depends on the bubble geometry, topology, and the material at hand, be it metallic or polymeric, for example. While the foam energy functional for each bubble is typically minimization of surface area for a…

Soft Condensed Matter · Physics 2023-08-25 Kyungeun Kim , Tao Zhang , J. M. Schwarz

We introduce a new class of models for emergent dynamics. It is based on a new communication protocol which incorporates two main features: short-range kernels which restrict the communication to local geometric balls, and anisotropic…

Analysis of PDEs · Mathematics 2020-08-31 Roman Shvydkoy , Eitan Tadmor

Using third-order perturbation theory, we derive a relation between the mean divergence of the peculiar velocity given density and the density itself. Our calculations assume Gaussian initial conditions and are valid for Gaussian filtering…

Astrophysics · Physics 2015-06-24 Michal Chodorowski , Ewa Lokas , Agnieszka Pollo , Adi Nusser